1-Chloroethyl acetate

HCID 521865

Notes Reactions

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Basic information

CAS: 5912-58-3
Standard SMILES: CC(=O)OC(C)Cl
InChIKey: CGKKDGMMKSOGLM-UHFFFAOYSA-N
Molecular formula: C4H7ClO2
Average molar mass: 122.55 g/mol
Monoisotopic mass: 122.01345714

Names & identifiers

Preferred name: 1-Chloroethyl acetate
IUPAC: 1-chloroethyl acetate
English name: a-Chloroethyl acetate
Molecular formula: C4H7ClO2
Molecular weight: 122.55

Names & synonyms

1-Chloroethyl acetate5912-58-3DTXSID40974559RefChem:431487DTXCID401401984818-486-51-Chloroethanol acetatea-Chloroethyl acetateEthanol, 1-chloro-, acetateacetic acid 1-chloro-ethyl esterEthanol, 1-chloro-, 1-acetateMFCD00623644

Show more names

Ethanol,1-chloro-, acetate (6CI,7CI,8CI,9CI)

acetic acid 1-chloroethyl esteralpha-chloroethyl acetate1-Chloroethylacetate1-Acetoxyethylchloride1-Chloroethyl acetate #1-Acetoxy-1-chloroethaneSCHEMBL9355731-Chloroethyl methylthioformate

Database identifiers

CAS: 5912-58-3
PubChem CID: 521865
DTXSID: DTXSID40974559
EC Number: 818-486-5
Nikkaji: J1.625.399E

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 7
Formal charge: 0
Complexity: 72.1

Experimental & physicochemical properties

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physicochemical properties

Boiling point: 120 · 120-124℃
Density: 1.116 · 1.116±0.06 g/cm3 (20 ºC 760 Torr)
refractive index: 1.409 · 1.409 (589.3 nm 20℃)
Flash point: 18.9 · 18.9±15.3℃
storage temp.: Hygroscopic, Refrigerator, under inert atmosphere
solubility: Chloroform (Sparingly), Methanol (Slightly)
form: Oil
color: Brown
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H319-H315-H302
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
HS Code: 9999999999 · 9999999999

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (33.3%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (33.3%)

Safety data

hs_code: 9999999999
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H335-H319-H315-H302
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P