151599

Trichloroacetyl chloride

99%

• Synonym(s): 2,2,2-Trichloroacetyl chloride, Trichloroacetic acid chloride, Trichloroacetochloride
• Linear Formula: Cl₃CCOCl
• CAS Number: 76-02-8
• Molecular Weight: 181.83
• Beilstein: 774120
• EC Number: 200-926-7
• MDL number: MFCD00000792
• UNSPSC Code: 12352100
• PubChem Substance ID: 24849149
• NACRES: NA.22

Properties

• vapor pressure: 16 mmHg ( 20 °C)
• Quality Level: 200
• Assay: 99%
• form: liquid
• refractive index: n20/D 1.470 (lit.)
• bp: 114-116 °C (lit.)
• mp: −57 °C (lit.)
• density: 1.629 g/mL at 25 °C (lit.)
• functional group: acyl chloride; chloro
• SMILES string: ClC(=O)C(Cl)(Cl)Cl
• InChI: 1S/C2Cl4O/c3-1(7)2(4,5)6
• InChI key: PVFOMCVHYWHZJE-UHFFFAOYSA-N

Description

General description

Trichloroacetyl chloride, also known as 2,2,2-Trichloroacetyl chloride, is an asymmetric ketone that is commonly used as a source of chlorine atoms in laboratories and as an acylating agent to produce bis(trichloroacetyl) cyclic enamines.

Application

Trichloroacetyl chloride was used in the preparation of dihydro-1H-benzindoles. It was also used in the synthesis of 3-alkylbenzoxazolones.

Safety Information

• Pictograms: GHS05,GHS07
• Signal Word: Danger
• Hazard Statements: H302,H314
• Precautionary Statements: P280 - P301 + P312 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338 - P363
• Hazard Classifications: Acute Tox. 4 Oral - Eye Dam. 1 - Skin Corr. 1A
• Storage Class Code: 8A - Combustible corrosive hazardous materials
• WGK: WGK 3
• Flash Point(F): 213.8 °F - open cup
• Flash Point(C): 101 °C - open cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves