167479

Chloroacetone

95%

• Synonym(s): 1-Chloropropan-2-one, Chloro-2-propanone
• Linear Formula: ClCH₂COCH₃
• CAS Number: 78-95-5
• Molecular Weight: 92.52
• Beilstein: 605369
• EC Number: 201-161-1
• MDL number: MFCD00000936
• UNSPSC Code: 12352100
• PubChem Substance ID: 24850211
• NACRES: NA.22

Properties

• Assay: 95%
• contains: ~0.1% Drapex 39 as stabilizer
• impurities: ~5% 1,1-dichloroacetone and/or mesityl oxide
• refractive index: n20/D 1.432 (lit.)
• bp: 120 °C (lit.)
• mp: −44.5 °C
• solubility: alcohol: miscible; chloroform: miscible; diethyl ether: miscible
• density: 1.162 g/mL at 25 °C (lit.)
• functional group: chloro; ketone
• storage temp.: 2-8°C
• SMILES string: CC(=O)CCl
• InChI: 1S/C3H5ClO/c1-3(5)2-4/h2H2,1H3
• InChI key: BULLHNJGPPOUOX-UHFFFAOYSA-N

Description

General description

Direct aldol reaction of chloroacetone with of 4-nitrobenzaldehyde catalyzed by L-proline amides has been investigated.

Application

Chloroacetone was used in the synthesis of double-chain nonionic surfactants with an acid decomposition function via acid-catalyzed condensation with fatty alcohols (octyl, decyl and dodecyl). It was also used in the synthesis of meso-tetramethyl tetrakis-(4-phenoxy acetone)calix[4]pyrrole.

Safety Information

• Pictograms: GHS02,GHS06,GHS05,GHS09
• Signal Word: Danger
• Hazard Statements: H226,H301,H310 + H330,H314,H335,H410
• Precautionary Statements: P210 - P273 - P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 2 Dermal - Acute Tox. 2 Inhalation - Acute Tox. 3 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - Eye Dam. 1 - Flam. Liq. 3 - Skin Corr. 1B - STOT SE 3
• Target Organs: Respiratory system
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 3
• Flash Point(F): 95.0 °F - closed cup
• Flash Point(C): 35 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves