药品

Description

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

Identification

CAS Registry Number	81-07-2
PubChem CID	5143
Molecular formula	C7H5NO3S
IUPAC name	1,1-dioxo-1,2-benzothiazol-3-one
UNII (FDA)	FST467XS7D

Computed Descriptors

Molecular Weight	183.19
XLogP3	0.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	182.99901420
Monoisotopic Mass	182.99901420
Topological Polar Surface Area	71.6
Heavy Atom Count	12
Formal Charge	0

Physical & Chemical Properties

Melting Point	228 °C decomposes
Melting Point	224 °C
Solubility	4 mg/mL at 25 °C
Density	0.828 g/cu cm at 25 °C
Vapor Pressure	0.00000064 [mmHg]
LogP	log Kow = 0.91
LogP	0.91
LogP	0.44
Ionization Efficiency	0.22
Ionization Efficiency	2.7

Physical description & handling notes

• 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

Regulatory Status

Regulatory & Food Contact	FDA 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 summary	97% (549 / 566)

GHS Hazard Classification

GHS notification summary	97% (549 / 566)

Documented Uses

• 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).

Synonyms

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

Frequently Asked Questions

What are the CAS number and molecular formula of Pharmaceuticals?

CAS 81-07-2; molecular formula C7H5NO3S; molecular weight — g/mol.

What other names is Pharmaceuticals known by?

saccharin, 81-07-2, o-Benzoic sulfimide, o-Sulfobenzimide, Saccharine, Saccharimide.

What is the regulatory status of Pharmaceuticals?

Documented regulatory listings: FDA Substance added to food: NON-NUTRITIVE SWEETENER; SWEETENER: Food Additives; JECFA ADI: 0-5 mg/kg bw.

Is Pharmaceuticals classified as hazardous?

97% of GHS notifications report no hazard classification (549 of 566).

What are the key physical properties of Pharmaceuticals?

Melting Point: 228 °C decomposes; Melting Point: 224 °C; Solubility: 4 mg/mL at 25 °C; Density: 0.828 g/cu cm at 25 °C.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.