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Pharmaceuticals

CAS 81-07-2C7H5NO3SMW 183.19

Pharmaceuticals(CAS 81-07-2):分子式 C7H5NO3S、分子量 183.19。

规格参数

CAS号81-07-2
分子式C7H5NO3S
分子量183.19
熔点228 °C decomposes
LogPlog Kow = 0.91
应用领域Uses: Used as a non-nutritive sweetener、pharmaceutic aid (flavor)、and in electroplating-bath brighteners、[Merck Index] Used as a cattle feed additive and in tobacco processing、[HSDB] Permitted for use as an inert ingredient in non-food pesticide products、[EPA]、Electroplating [Category: Plate]、Farming (Feed Additives) [Category: Industry]、Non-nutritive sweetener、pharmaceutic aid (flavor). In formulations for electroplating-bath brighteners、A sweetening agent in Aromatic Cascara Sagrada Fluid extract and highly alcoholic preparations. ... It is used as a sweetening agent in vehicles、canned foods、and beverages and in diets for diabetics to replace sucrose.、Add sweetness with or without the extra calories ...、in、beverages、baked goods、confections、table-top sugar、substitutes、many processed foods、NON-CALORIC SYNTHETIC SWEETENER IN TABLETS、LIQ PRODUCTS、SOFT DRINKS、DIETETIC FOODS、MISC PHARMACEUTICALS、CHEWING GUM、TOOTH PASTE、SMOKELESS TOBACCO PRODUCTS、ELECTROPLATING BATH ADDITIVE、CATTLE FEED ADDITIVE、ANTISEPTIC (FORMER USE)、PRESERVATIVE TO RETARD FERMENTATION OF FOOD (FORMER USE).、Saccharin has been used in the sweetening of pharmaceutical tablets and in processing of tobacco.、Use Classification: Fragrance Ingredients、Food Additives -> SWEETENER -> JECFA Functional Classes、Environmental transformation -> Pesticide transformation products (metabolite、successor)、Cosmetics -> Masking、Oral care、Consumer Uses: Not Known or Reasonably Ascertainable、Household Products: Information on 2 consumer products that contain Saccharin in the following categories is provided:、• Home Maintenance、• Personal Care、Methods of Manufacturing: In most countries、commercial saccharin is produced by the Remsen-Fahlberg process ... Toluene is used as the starting material and reacted with chlorosulfonic acid to a mixture of isomeric toluene sulfochlorides. In the presence of ammonia、2-toluene sulfochloride forms 2-toluene sulfonic acid amide which is oxidized under appropriate conditions to saccharin. Potential oxidizing agents are potassium permanganate or chromic acid.、In the United States、the Maumee process is used. This starts from either anthranilic acid or its methyl ester、which can be obtained from phthalic acid anhydride. With sodium nitrite、anthranilic acid forms a diazonium compound、which is reacted with sulfur dioxide or sulfites、and chlorinated to 2-chlorosulfonylbenzoic acid methyl ester. In the presence of ammonia、this ester yields the respective amide、from which、after de-esterification、saccharin is obtained. Reaction with sodium hydroxide or calcium hydroxide forms the respective saccharin salts.、Saccharin is dissolved in an equimolar quantity of aqueous sodium hydroxide、and the solution is concentrated to crystallization.、Saccharin sodium、Saccharin is reacted with a semimolar quantity of calcium hydroxide in aqueous medium、and the resulting solution is concentrated to crystallization.、Saccharin calcium、A mixture of toluenesulfonic acids is converted into the sodium salt then distilled with phosphorus trichloride and chlorine to obtain the o-toluene sulfonyl chloride which、by means of ammonia、is converted into o-toluenesulfamide. This is oxidized with permanganate、treated with acid、and saccharin crystallized out.、Impurities: o- & p-Toluenesulfonamide、1、2-benzisothiazol-1、1-dioxide、2-benzisothiazoline-1、3-aminobenzisothazol-1、5- & 6-chlorosaccharin、ammonium saccharin、methyl saccharin、diphenyl sulfone、ditolylsulphone isomers、o- & p-sulfamoylbenzoic acid、o-chlorobenzoic acid、o-sulfobenzoic acid (& ammonium salt)、n-tetracosane、bis(4-carboxyphenyl)sulfone、toluene-2、4-disulfonamide、saccharin-o-toluenesulfonamide、saccharin-6-sulfonamide、N-methyl-o-toluene-sulfonamide、methyl-o-chlorobenzoate、4、4'-dibenzoylsulfone、2- or 3-carboxy thiaxanthone-5-dioxide、o-sulfobenzamide、methyl-o-sulfamoylbenzoate、methyl-N-methylsulfamoylbenzoate、saccharin-o-toluenesulfoxylimide、& other、Reported impurities in saccharin & sodium saccharin、Formulations、Preparations: Grades: Commercial、CP、Chemically pure: A grade designation signifying a minimum of impurities、but not 100% pure、USP、United States Pharmacopeia、FCC、Food Chemicals Codex、.、Sodium saccharin FCC (Food Chemicals Codex) is available in the USA in four grades: spray-dried、containing 3.0% moisture、powder、containing 5.0-5.8% moisture、pelletized、containing 10.5-11.5% moisture、and granular、containing 14.0-15.0% moisture. Each of these grades meets or exceeds the following Food Chemicals Codex specifications: 98-101% active ingredient on an anhydrous basis、3-15% water、100 mg、kg toluenesulphonamides、30 mg、kg selenium、10 mg、kg heavy metals (as lead) and 3 mg、kg arsenic.、Sodium saccharin、Trade Names: Assugrin vollsuss (also contains sodium cyclamate)、Garantose、Glucid、Gluside、Hermesetas、Kandiset、Natreen (also contains sodium cyclamate)、Sacarina、550 Saccharin、Saccharina、Saccharinol、Saccharinose、Saccharol、Saxin、Sucre Edulcor、Sucrette、Sykose、Zaharina.、Available in the USA as saccharin insoluble powder FCC (Food Chemicals Codex): 98-101% active ingredient on an anhydrous basis、a maximum of 100 mg、kg heavy metals (as lead) & 3 mg、kg arsenic ... Available in the USA as a USP grade containing 98-101% active ingredient on an anhydrous basis.、Consumption Patterns: Global consumption (1000 tons): 37、The USA consumption pattern for saccharin (all forms) in 1976 has been estimated as follows: 77% in food uses: 45% in soft drinks、18% in 'tabletop' sweetener、and 14% in other foods such as fruits、premixes、juices、sweets、chewing gum and jellies、and 23% in nonfood items: 10% in cosmetics such as toothpaste、mouthwash and lipstick、7% in pharmaceuticals such as coatings on pills、2% in smokeless tobacco products such as chewing tobacco and snuff、2% in electroplating、1% in cattle feed and 1% i

用途与场景

登记用途:Uses: Used as a non-nutritive sweetener、pharmaceutic aid (flavor)、and in electroplating-bath brighteners、[Merck Index] Used as a cattle feed additive and in tobacco processing、[HSDB] Permitted for use as an inert ingredient in non-food pesticide products、[EPA]、Electroplating [Category: Plate]、Farming (Feed Additives) [Category: Industry]、Non-nutritive sweetener、pharmaceutic aid (flavor). In formulations for electroplating-bath brighteners、A sweetening agent in Aromatic Cascara Sagrada Fluid extract and highly alcoholic preparations. ... It is used as a sweetening agent in vehicles、canned foods、and beverages and in diets for diabetics to replace sucrose.、Add sweetness with or without the extra calories ...、in、beverages、baked goods、confections、table-top sugar、substitutes、many processed foods、NON-CALORIC SYNTHETIC SWEETENER IN TABLETS、LIQ PRODUCTS、SOFT DRINKS、DIETETIC FOODS、MISC PHARMACEUTICALS、CHEWING GUM、TOOTH PASTE、SMOKELESS TOBACCO PRODUCTS、ELECTROPLATING BATH ADDITIVE、CATTLE FEED ADDITIVE、ANTISEPTIC (FORMER USE)、PRESERVATIVE TO RETARD FERMENTATION OF FOOD (FORMER USE).、Saccharin has been used in the sweetening of pharmaceutical tablets and in processing of tobacco.、Use Classification: Fragrance Ingredients、Food Additives -> SWEETENER -> JECFA Functional Classes、Environmental transformation -> Pesticide transformation products (metabolite、successor)、Cosmetics -> Masking、Oral care、Consumer Uses: Not Known or Reasonably Ascertainable、Household Products: Information on 2 consumer products that contain Saccharin in the following categories is provided:、• Home Maintenance、• Personal Care、Methods of Manufacturing: In most countries、commercial saccharin is produced by the Remsen-Fahlberg process ... Toluene is used as the starting material and reacted with chlorosulfonic acid to a mixture of isomeric toluene sulfochlorides. In the presence of ammonia、2-toluene sulfochloride forms 2-toluene sulfonic acid amide which is oxidized under appropriate conditions to saccharin. Potential oxidizing agents are potassium permanganate or chromic acid.、In the United States、the Maumee process is used. This starts from either anthranilic acid or its methyl ester、which can be obtained from phthalic acid anhydride. With sodium nitrite、anthranilic acid forms a diazonium compound、which is reacted with sulfur dioxide or sulfites、and chlorinated to 2-chlorosulfonylbenzoic acid methyl ester. In the presence of ammonia、this ester yields the respective amide、from which、after de-esterification、saccharin is obtained. Reaction with sodium hydroxide or calcium hydroxide forms the respective saccharin salts.、Saccharin is dissolved in an equimolar quantity of aqueous sodium hydroxide、and the solution is concentrated to crystallization.、Saccharin sodium、Saccharin is reacted with a semimolar quantity of calcium hydroxide in aqueous medium、and the resulting solution is concentrated to crystallization.、Saccharin calcium、A mixture of toluenesulfonic acids is converted into the sodium salt then distilled with phosphorus trichloride and chlorine to obtain the o-toluene sulfonyl chloride which、by means of ammonia、is converted into o-toluenesulfamide. This is oxidized with permanganate、treated with acid、and saccharin crystallized out.、Impurities: o- & p-Toluenesulfonamide、1、2-benzisothiazol-1、1-dioxide、2-benzisothiazoline-1、3-aminobenzisothazol-1、5- & 6-chlorosaccharin、ammonium saccharin、methyl saccharin、diphenyl sulfone、ditolylsulphone isomers、o- & p-sulfamoylbenzoic acid、o-chlorobenzoic acid、o-sulfobenzoic acid (& ammonium salt)、n-tetracosane、bis(4-carboxyphenyl)sulfone、toluene-2、4-disulfonamide、saccharin-o-toluenesulfonamide、saccharin-6-sulfonamide、N-methyl-o-toluene-sulfonamide、methyl-o-chlorobenzoate、4、4'-dibenzoylsulfone、2- or 3-carboxy thiaxanthone-5-dioxide、o-sulfobenzamide、methyl-o-sulfamoylbenzoate、methyl-N-methylsulfamoylbenzoate、saccharin-o-toluenesulfoxylimide、& other、Reported impurities in saccharin & sodium saccharin、Formulations、Preparations: Grades: Commercial、CP、Chemically pure: A grade designation signifying a minimum of impurities、but not 100% pure、USP、United States Pharmacopeia、FCC、Food Chemicals Codex、.、Sodium saccharin FCC (Food Chemicals Codex) is available in the USA in four grades: spray-dried、containing 3.0% moisture、powder、containing 5.0-5.8% moisture、pelletized、containing 10.5-11.5% moisture、and granular、containing 14.0-15.0% moisture. Each of these grades meets or exceeds the following Food Chemicals Codex specifications: 98-101% active ingredient on an anhydrous basis、3-15% water、100 mg、kg toluenesulphonamides、30 mg、kg selenium、10 mg、kg heavy metals (as lead) and 3 mg、kg arsenic.、Sodium saccharin、Trade Names: Assugrin vollsuss (also contains sodium cyclamate)、Garantose、Glucid、Gluside、Hermesetas、Kandiset、Natreen (also contains sodium cyclamate)、Sacarina、550 Saccharin、Saccharina、Saccharinol、Saccharinose、Saccharol、Saxin、Sucre Edulcor、Sucrette、Sykose、Zaharina.、Available in the USA as saccharin insoluble powder FCC (Food Chemicals Codex): 98-101% active ingredient on an anhydrous basis、a maximum of 100 mg、kg heavy metals (as lead) & 3 mg、kg arsenic ... Available in the USA as a USP grade containing 98-101% active ingredient on an anhydrous basis.、Consumption Patterns: Global consumption (1000 tons): 37、The USA consumption pattern for saccharin (all forms) in 1976 has been estimated as follows: 77% in food uses: 45% in soft drinks、18% in 'tabletop' sweetener、and 14% in other foods such as fruits、premixes、juices、sweets、chewing gum and jellies、and 23% in nonfood items: 10% in cosmetics such as toothpaste、mouthwash and lipstick、7% in pharmaceuticals such as coatings on pills、2% in smokeless tobacco products such as chewing tobacco and snuff、2% in electroplating、1% in cattle feed and 1% i。

采购档案

这个产品是什么

Pharmaceuticals 是一种化工化合物,登记 CAS 号为 81-07-2,分子式 C7H5NO3S(分子量 183.19)。

识别信息

登记 CAS 号:81-07-2

其分子式 C7H5NO3S 由 7 个碳、5 个氢、1 个氮、3 个氧、1 个硫 组成。

别名/同义词:Pharmaceuticals · Saccharin

常见问题

Pharmaceuticals 的 CAS 号是多少?

Pharmaceuticals 的 CAS 登记号为 81-07-2。

Pharmaceuticals 的分子式与分子量是多少?

分子式 C7H5NO3S,分子量 183.19。

Pharmaceuticals 还有哪些别名?

别名/同义词:Pharmaceuticals、Saccharin。

Pharmaceuticals 的登记用途是什么?

登记用途:Uses: Used as a non-nutritive sweetener、pharmaceutic aid (flavor)、and in electroplating-bath brighteners、[Merck Index] Used as a cattle feed additive and in tobacco processing、[HSDB] Permitted for use as an inert ingredient in non-food pesticide products、[EPA]、Electroplating [Category: Plate]、Farming (Feed Additives) [Category: Industry]、Non-nutritive sweetener、pharmaceutic aid (flavor). In formulations for electroplating-bath brighteners、A sweetening agent in Aromatic Cascara Sagrada Fluid extract and highly alcoholic preparations. ... It is used as a sweetening agent in vehicles、canned foods、and beverages and in diets for diabetics to replace sucrose.、Add sweetness with or without the extra calories ...、in、beverages、baked goods、confections、table-top sugar、substitutes、many processed foods、NON-CALORIC SYNTHETIC SWEETENER IN TABLETS、LIQ PRODUCTS、SOFT DRINKS、DIETETIC FOODS、MISC PHARMACEUTICALS、CHEWING GUM、TOOTH PASTE、SMOKELESS TOBACCO PRODUCTS、ELECTROPLATING BATH ADDITIVE、CATTLE FEED ADDITIVE、ANTISEPTIC (FORMER USE)、PRESERVATIVE TO RETARD FERMENTATION OF FOOD (FORMER USE).、Saccharin has been used in the sweetening of pharmaceutical tablets and in processing of tobacco.、Use Classification: Fragrance Ingredients、Food Additives -> SWEETENER -> JECFA Functional Classes、Environmental transformation -> Pesticide transformation products (metabolite、successor)、Cosmetics -> Masking、Oral care、Consumer Uses: Not Known or Reasonably Ascertainable、Household Products: Information on 2 consumer products that contain Saccharin in the following categories is provided:、• Home Maintenance、• Personal Care、Methods of Manufacturing: In most countries、commercial saccharin is produced by the Remsen-Fahlberg process ... Toluene is used as the starting material and reacted with chlorosulfonic acid to a mixture of isomeric toluene sulfochlorides. In the presence of ammonia、2-toluene sulfochloride forms 2-toluene sulfonic acid amide which is oxidized under appropriate conditions to saccharin. Potential oxidizing agents are potassium permanganate or chromic acid.、In the United States、the Maumee process is used. This starts from either anthranilic acid or its methyl ester、which can be obtained from phthalic acid anhydride. With sodium nitrite、anthranilic acid forms a diazonium compound、which is reacted with sulfur dioxide or sulfites、and chlorinated to 2-chlorosulfonylbenzoic acid methyl ester. In the presence of ammonia、this ester yields the respective amide、from which、after de-esterification、saccharin is obtained. Reaction with sodium hydroxide or calcium hydroxide forms the respective saccharin salts.、Saccharin is dissolved in an equimolar quantity of aqueous sodium hydroxide、and the solution is concentrated to crystallization.、Saccharin sodium、Saccharin is reacted with a semimolar quantity of calcium hydroxide in aqueous medium、and the resulting solution is concentrated to crystallization.、Saccharin calcium、A mixture of toluenesulfonic acids is converted into the sodium salt then distilled with phosphorus trichloride and chlorine to obtain the o-toluene sulfonyl chloride which、by means of ammonia、is converted into o-toluenesulfamide. This is oxidized with permanganate、treated with acid、and saccharin crystallized out.、Impurities: o- & p-Toluenesulfonamide、1、2-benzisothiazol-1、1-dioxide、2-benzisothiazoline-1、3-aminobenzisothazol-1、5- & 6-chlorosaccharin、ammonium saccharin、methyl saccharin、diphenyl sulfone、ditolylsulphone isomers、o- & p-sulfamoylbenzoic acid、o-chlorobenzoic acid、o-sulfobenzoic acid (& ammonium salt)、n-tetracosane、bis(4-carboxyphenyl)sulfone、toluene-2、4-disulfonamide、saccharin-o-toluenesulfonamide、saccharin-6-sulfonamide、N-methyl-o-toluene-sulfonamide、methyl-o-chlorobenzoate、4、4'-dibenzoylsulfone、2- or 3-carboxy thiaxanthone-5-dioxide、o-sulfobenzamide、methyl-o-sulfamoylbenzoate、methyl-N-methylsulfamoylbenzoate、saccharin-o-toluenesulfoxylimide、& other、Reported impurities in saccharin & sodium saccharin、Formulations、Preparations: Grades: Commercial、CP、Chemically pure: A grade designation signifying a minimum of impurities、but not 100% pure、USP、United States Pharmacopeia、FCC、Food Chemicals Codex、.、Sodium saccharin FCC (Food Chemicals Codex) is available in the USA in four grades: spray-dried、containing 3.0% moisture、powder、containing 5.0-5.8% moisture、pelletized、containing 10.5-11.5% moisture、and granular、containing 14.0-15.0% moisture. Each of these grades meets or exceeds the following Food Chemicals Codex specifications: 98-101% active ingredient on an anhydrous basis、3-15% water、100 mg、kg toluenesulphonamides、30 mg、kg selenium、10 mg、kg heavy metals (as lead) and 3 mg、kg arsenic.、Sodium saccharin、Trade Names: Assugrin vollsuss (also contains sodium cyclamate)、Garantose、Glucid、Gluside、Hermesetas、Kandiset、Natreen (also contains sodium cyclamate)、Sacarina、550 Saccharin、Saccharina、Saccharinol、Saccharinose、Saccharol、Saxin、Sucre Edulcor、Sucrette、Sykose、Zaharina.、Available in the USA as saccharin insoluble powder FCC (Food Chemicals Codex): 98-101% active ingredient on an anhydrous basis、a maximum of 100 mg、kg heavy metals (as lead) & 3 mg、kg arsenic ... Available in the USA as a USP grade containing 98-101% active ingredient on an anhydrous basis.、Consumption Patterns: Global consumption (1000 tons): 37、The USA consumption pattern for saccharin (all forms) in 1976 has been estimated as follows: 77% in food uses: 45% in soft drinks、18% in 'tabletop' sweetener、and 14% in other foods such as fruits、premixes、juices、sweets、chewing gum and jellies、and 23% in nonfood items: 10% in cosmetics such as toothpaste、mouthwash and lipstick、7% in pharmaceuticals such as coatings on pills、2% in smokeless tobacco products such as chewing tobacco and snuff、2% in electroplating、1% in cattle feed and 1% i。

PubChem 公开数据

Pharmaceuticals(CAS 81-07-2)的公开数据库记录,列此仅供独立核对。

危险化学品分类与危害说明

GHS notification summary97% (549 / 566)

This chemical does not meet GHS hazard criteria for 97% (549 of 566) of all reports.

Reported as not meeting GHS hazard criteria by 549 of 566 companies (only 3% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

法规与备案状态

Regulatory & Food ContactFDA Substance added to food: NON-NUTRITIVE SWEETENER
SWEETENER: Food Additives
JECFA ADI: 0-5 mg/kg bw
GROUP ADI FOR SACCHARIN AND ITS CALCIUM, POTASSIUM AND SODIUM SALTS
TRS 837-JECFA 41/17
FAS 32-JECFA 41/105
GHS notification summary97% (549 / 566)

物理形态与操作说明

  • Saccharin (manufacturing) appears as white crystals. Odorless or faintly aromatic odor. Sweet taste. (NTP, 1992)
  • Wet Solid
  • White solid; [CAMEO]
  • Solid
  • Monoclinic crystals
  • Needles from acetone; prisms from alcohol; leaflets from water

公开数据库收录的理化数据

熔点228 °C decomposes
熔点224 °C
溶解度4 mg/mL at 25 °C
密度0.828 g/cu cm at 25 °C
蒸气压0.00000064 [mmHg]
LogPlog Kow = 0.91
LogP0.91
LogP0.44
Ionization Efficiency0.22
Ionization Efficiency2.7

这个物质在各数据库里的编号

CAS Registry Number81-07-2
PubChem CID5143
分子式C7H5NO3S
IUPAC 名称1,1-dioxo-1,2-benzothiazol-3-one
UNII(FDA)FST467XS7D

数据库记载的用途

  • Electroplating [Category: Plate]
  • Farming (Feed Additives) [Category: Industry]
  • Non-nutritive sweetener; pharmaceutic aid (flavor). In formulations for electroplating-bath brighteners
  • A sweetening agent in Aromatic Cascara Sagrada Fluid extract and highly alcoholic preparations. ... It is used as a sweetening agent in vehicles, canned foods, and beverages and in diets for diabetics to replace sucrose.
  • Add sweetness with or without the extra calories ... /in/ beverages, baked goods, confections, table-top sugar, substitutes, many processed foods
  • NON-CALORIC SYNTHETIC SWEETENER IN TABLETS, LIQ PRODUCTS, SOFT DRINKS, DIETETIC FOODS, MISC PHARMACEUTICALS, CHEWING GUM, TOOTH PASTE, SMOKELESS TOBACCO PRODUCTS; ELECTROPLATING BATH ADDITIVE; CATTLE FEED ADDITIVE; ANTISEPTIC (FORMER USE); PRESERVATIVE TO RETARD FERMENTATION OF FOOD (FORMER USE).

它在各数据库里的别名

saccharin; 81-07-2; o-Benzoic sulfimide; o-Sulfobenzimide; Saccharine; Saccharimide; Benzosulfimide; Garantose; o-Benzosulfimide; Benzoic sulfimide; Benzosulphimide; Saccharinol; Saccharinose; Saccharin insoluble; Benzosulfinide; Hermesetas

计算机算出的分子描述符

分子量183.19
XLogP30.9
氢键供体数1
氢键受体数3
可旋转键数0
精确质量182.99901420
单同位素质量182.99901420
拓扑极性表面积71.6
重原子数12
形式电荷0

数据库摘要

Pharmaceuticals · CAS 81-07-2 · C7H5NO3S. UNII FST467XS7D. 熔点: 228 °C decomposes; 熔点: 224 °C; 溶解度: 4 mg/mL at 25 °C.

数据来源:PubChem / Wikidata;与随货 COA 不一致时以 COA 为准。

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