2-Chloroacetyl Chloride (CAS 79-04-9) — formula C2H2Cl2O, molecular weight 112.94; category inorganic chemicals.
Documented applications: Uses: Used in organic synthesis, [ACGIH], Toxic Gas from Spilling Chemical in Water [Category: Other], In the synthesis of organic compounds., Preparation of chloroacetophenone, intermediate, tear gas., The chief use of chloroacetyl chloride (CAC) is as an intermediate in the manufacture of chloroacetophenone and other chemicals., Much of the chloroacetyl chloride produced is used captively as a reactive intermediate. ... acylation reactions and in the production of adrenalin, diazepam, chloroacetophenone, chloroacetate esters and chloroacetic anhydride., Chloroacetyl chloride is used for many syntheses, e.g., to make adrenaline, chloroacetic acid esters, and the anhydride., Industry Uses: Intermediate, Methods of Manufacturing: Chloroacetyl chloride is usually manufactured from chloroacetic acid by reaction with phosphorus trichloride, thionyl chloride, sulfuryl chloride, or phosgene. It is also obtained by chlorination of acetyl chloride in the presence of stronger aliphatic acids, preferably chloroacetic acids, or from sodium chloroacetate and the usual chlorinating agents., Manufactured by reaction of chloroacetic acid with chlorinating agents such as phosphorus oxychloride, phosphorus trichloride, sulfuryl chloride or phosgene. Various catalysts have been used to promote the reaction. Chloroacetyl chloride is also produced by chlorination of acetyl chloride, the oxidation of 1, 1-dichloroethene, and the addition of chlorine to ketene.., Preparation from chloroacetic acid and benzoyl chloride ..., by chlorination of ketene ..., Prill, United States patent 2889365 (1959 to Monsanto), from chloroacetic acid and pyrocatechylphosphorus trichloride ... . Manufactured from chloroacetic acid and POCl2: MacKenzie, Morris, United States patent 2848491 (1958 to Dow), from ketene: Prill, United States patent 2889365 (1959 to Monsanto)., (1) Action of chlorine on acetyl chloride in sunlight. (2) Dropping phosphorus trichloride on chloroacetic acid., Consumption Patterns: Much of the chloroacetyl chloride produced is used captively as a reactive intermediate., Estimated that the chloroacetyl chloride requirement for the manufacture of alachlor and butachlor was in excess of 45, 000 metric tons in 1992. Significant volumes are also used in pharmaceutical manufacture, such as anesthetics of the lidocaine type, and in the production of the tear gas chloroacetophenone., U.S. Production: 2023: 40, 000, 000 - <55, 000 lb, 2022: 40, 2021: 25, 000 - <40, 2020: 70, 000 - <85, (1972) PROBABLY GREATER THAN 4.54X10+5 GRAMS, (1975) GREATER THAN 4.54X10+5 GRAMS, Non-confidential 2016 Chemical Data Reporting (CDR) information on the production and use of chemicals manufactured or imported into the United States. Chemical: Chloroacetylchloride:, Table: National Aggregate Production Volume (pounds) [Table#2620], General Manufacturing Information: All Other Basic Organic Chemical Manufacturing, Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing, Acetyl chloride, 2-chloro-: ACTIVE, Chloroacetyl chloride is usually manufactured from chloroacetic acid by reaction with phosphorus trichloride.
2-Chloroacetyl Chloride is an inorganic compound with CAS registry number 79-04-9 and molecular formula C2H2Cl2O (molecular weight 112.94), belonging to the inorganic chemicals segment of chemical raw materials.
CAS number: 79-04-9
Its molecular formula C2H2Cl2O comprises 2 C, 2 H, 2 Cl, 1 O atoms.
Also known as: 2-Chloroacetyl Chloride · Chloroacetyl chloride
Category: inorganic chemicals
The CAS registry number of 2-Chloroacetyl Chloride is 79-04-9.
Molecular formula C2H2Cl2O, molecular weight 112.94.
It is also registered under: 2-Chloroacetyl Chloride, Chloroacetyl chloride.
Recorded applications: Uses: Used in organic synthesis, [ACGIH], Toxic Gas from Spilling Chemical in Water [Category: Other], In the synthesis of organic compounds., Preparation of chloroacetophenone, intermediate, tear gas., The chief use of chloroacetyl chloride (CAC) is as an intermediate in the manufacture of chloroacetophenone and other chemicals., Much of the chloroacetyl chloride produced is used captively as a reactive intermediate. ... acylation reactions and in the production of adrenalin, diazepam, chloroacetophenone, chloroacetate esters and chloroacetic anhydride., Chloroacetyl chloride is used for many syntheses, e.g., to make adrenaline, chloroacetic acid esters, and the anhydride., Industry Uses: Intermediate, Methods of Manufacturing: Chloroacetyl chloride is usually manufactured from chloroacetic acid by reaction with phosphorus trichloride, thionyl chloride, sulfuryl chloride, or phosgene. It is also obtained by chlorination of acetyl chloride in the presence of stronger aliphatic acids, preferably chloroacetic acids, or from sodium chloroacetate and the usual chlorinating agents., Manufactured by reaction of chloroacetic acid with chlorinating agents such as phosphorus oxychloride, phosphorus trichloride, sulfuryl chloride or phosgene. Various catalysts have been used to promote the reaction. Chloroacetyl chloride is also produced by chlorination of acetyl chloride, the oxidation of 1, 1-dichloroethene, and the addition of chlorine to ketene.., Preparation from chloroacetic acid and benzoyl chloride ..., by chlorination of ketene ..., Prill, United States patent 2889365 (1959 to Monsanto), from chloroacetic acid and pyrocatechylphosphorus trichloride ... . Manufactured from chloroacetic acid and POCl2: MacKenzie, Morris, United States patent 2848491 (1958 to Dow), from ketene: Prill, United States patent 2889365 (1959 to Monsanto)., (1) Action of chlorine on acetyl chloride in sunlight. (2) Dropping phosphorus trichloride on chloroacetic acid., Consumption Patterns: Much of the chloroacetyl chloride produced is used captively as a reactive intermediate., Estimated that the chloroacetyl chloride requirement for the manufacture of alachlor and butachlor was in excess of 45, 000 metric tons in 1992. Significant volumes are also used in pharmaceutical manufacture, such as anesthetics of the lidocaine type, and in the production of the tear gas chloroacetophenone., U.S. Production: 2023: 40, 000, 000 - <55, 000 lb, 2022: 40, 2021: 25, 000 - <40, 2020: 70, 000 - <85, (1972) PROBABLY GREATER THAN 4.54X10+5 GRAMS, (1975) GREATER THAN 4.54X10+5 GRAMS, Non-confidential 2016 Chemical Data Reporting (CDR) information on the production and use of chemicals manufactured or imported into the United States. Chemical: Chloroacetylchloride:, Table: National Aggregate Production Volume (pounds) [Table#2620], General Manufacturing Information: All Other Basic Organic Chemical Manufacturing, Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing, Acetyl chloride, 2-chloro-: ACTIVE, Chloroacetyl chloride is usually manufactured from chloroacetic acid by reaction with phosphorus trichloride.
Category: Inorganic Chemicals.
Public-database records for 2-Chloroacetyl Chloride (CAS 79-04-9), reproduced here for independent cross-checking.
| Reported hazard statements | H301, H311, H314, H331, H372, H400, H290 (52.9%), H310 (35.3%) |
|---|
H301: Toxic if swallowed [Danger Acute toxicity, oral]
H311: Toxic in contact with skin [Danger Acute toxicity, dermal]
| 沸点 | 221 °F at 760 mmHg (USCG, 1999) |
|---|---|
| 沸点 | 106.0 °C |
| 沸点 | 106 °C |
| 沸点 | 223 °F |
| 沸点 | 106 °C @760 [mm Hg] |
| 熔点 | -8.5 °F (USCG, 1999) |
| 熔点 | -21.7 °C |
| 熔点 | -21.8 °C |
| 熔点 | -8.5 °F |
| 熔点 | -22 °C |
| CAS Registry Number | 79-04-9 |
|---|---|
| PubChem CID | 6577 |
| 分子式 | C2H2Cl2O |
| IUPAC 名称 | 2-chloroacetyl chloride |
| UNII（FDA） | K5UML06YUO |
CHLOROACETYL CHLORIDE; 79-04-9; 2-chloroacetyl chloride; Acetyl chloride, chloro-; Monochloroacetyl chloride; Chloracetyl chloride; Chloroacetic chloride; Chloroacetic acid chloride; Chlorure de chloracetyle; Chlorid kyseliny chloroctove; DTXSID4026472; K5UML06YUO; DTXCID306472; RefChem:125361; 201-171-6; ChloroacetylChloride
| 分子量 | 112.94 |
|---|---|
| XLogP3 | 1.4 |
| 氢键供体数 | 0 |
| 氢键受体数 | 1 |
| 可旋转键数 | 1 |
| 精确质量 | 111.9482701 |
| 单同位素质量 | 111.9482701 |
| 拓扑极性表面积 | 17.1 |
| 重原子数 | 5 |
| 形式电荷 | 0 |
2-Chloroacetyl Chloride · CAS 79-04-9 · C2H2Cl2O. UNII K5UML06YUO. 沸点: 221 °F at 760 mmHg (USCG, 1999); 沸点: 106.0 °C; 沸点: 106 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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