2-Propanone, 1-(acetyloxy)-3-chloro-

HCID 38413

Notes Reactions

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Basic information

CAS: 40235-68-5
Standard SMILES: CC(=O)OCC(=O)CCl
InChIKey: LCMPIWIWBGHBOY-UHFFFAOYSA-N
Molecular formula: C5H7ClO3
Average molar mass: 150.56 g/mol
Monoisotopic mass: 150.00837176

Names & identifiers

Preferred name: 2-Propanone, 1-(acetyloxy)-3-chloro-
IUPAC: (3-chloro-2-oxopropyl) acetate
English name: 1-Acetoxy-3-chloroacetone
Molecular formula: C5H7ClO3
Molecular weight: 150.56

Names & synonyms

1-Acetoxy-3-chloroacetone40235-68-52-Propanone, 1-(acetyloxy)-3-chloro-Chlorohydroxyacetone acetate1-Acetoxy-3-chloropropan-2-one1-Acetyloxy-3-chloroacetoneBRN 1759066ACETIC ACID, CHLOROACETYLMETHYL ESTER1-02-00-00072 (Beilstein Handbook Reference)DTXSID1068221RefChem:478558DTXCID8039740

Show more names

Chloroacetol acetateAcetoxychloroacetone1-Acetoxy-3-chloroactonechlorohydroxyacetoneacetate1-Acetoxy-3-chloroacetone >1-ACETOXY-3-CHLORO-2-PROPANONE

672-749-73-chloro-2-oxopropyl acetate(3-chloro-2-oxopropyl) acetateMFCD001913651-Acetoxy-3-acetenyl Chloride1-Acetoxy-3-chloro-2-propanone1-chloro-3-acetoxyacetoneSCHEMBL197897

Database identifiers

CAS: 40235-68-5
PubChem CID: 38413
DTXSID: DTXSID1068221
ChEMBL: CHEMBL3276494
EC Number: 672-749-7
Nikkaji: J55.312C

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 43.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 9
Formal charge: 0
Complexity: 121

Physicochemical properties

Boiling point: 112 · 112-114 °C(Press: 16 Torr)
Density: 1.28 · 1.28
refractive index: 1.451 · 1.4510-1.4540
storage temp.: 2 · Storage temp. 2-8°C
form: clear liquid
color: Light orange to Yellow to Green
InChIKey: LCMPIWIWBGHBOY-UHFFFAOYSA-N
EPA Substance Registry System: 2 · 2-Propanone, 1-(acetyloxy)-3-chloro- (40235-68-5)
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 227 · H227-H302+H312+H332-H314
Precautionary statements: 210 · P210-P260-P264-P270-P271-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P403+P235-P405-P501
Hazard Codes: T
Risk Statements: 23 · 23/24/25-34-36-25
Safety Statements: 23 · 23-26-36/37/39-45
RIDADR: 2922 · 2922
RTECS: 8600000 · AF8600000
TSCA: TSCA listed
HazardClass: 8 · 8
PackingGroup: II
HS Code: 2918300090 · 2918300090
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H226 (85.7%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 21 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationChemical: 2-Propanone, 1-(acetyloxy)-3-chloro-

Hazard Classes and CategoriesFlam. Liq. 3 (85.7%)

Safety data

tsca: TSCA listed
rtecs: AF8600000
ridadr: 2922
hs_code: 2918300090
risk_code: 23/24/25-34-36-25
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: T
safety_code: 23-26-36/37/39-45
hazard_class: 8
packing_group: II
Hazard statements: H227-H302+H312+H332-H314
Limited Quantities: 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Precautionary statements: P210-P260-P264-P270-P271-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P403+P235-P405-P501