beta-Chloroethyl acetate

HCID 10959

Notes Reactions

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Basic information

CAS: 542-58-5
Standard SMILES: CC(=O)OCCCl
InChIKey: VIRWKAJWTKAIMA-UHFFFAOYSA-N
Molecular formula: C4H7ClO2
Average molar mass: 122.55 g/mol
Monoisotopic mass: 122.01345714

Names & identifiers

Preferred name: beta-Chloroethyl acetate
IUPAC: 2-chloroethyl acetate
English name: Acetic acid 2-chloroethyl ester
Molecular formula: C4H7ClO2
Molecular weight: 122.55

Names & synonyms

2-Chloroethyl acetate542-58-52-Acetoxyethyl chloride1-Acetoxy-2-chloroethane2-Acetoxy-1-chloroethaneEthanol, 2-chloro-, acetate2-Chloroethanol acetate2-Chloroethyl ethanoatebeta-Chloroethyl acetateAcetoxyethyl chloride2-ChlorethylacetatChloroethyl acetate

Show more names

JACS-542-58-5CH3C(O)OCH2CH2Cl2-CHLORETHYLACETATEacetoxyethylchlorideb-Chloroethyl Acetate2-chloro-ethanoacetate

Acetic acid, 2-chloroethyl ester2-Chlorethylacetat [German]NSC 77374Ethanol, 2-chloro-, 1-acetateEINECS 208-820-28D17ZAW6MQBRN 1743107AI3-15314

Database identifiers

CAS: 542-58-5
PubChem CID: 10959
DTXSID: DTXSID40878740
ChEMBL: CHEMBL296237
UNII: 8D17ZAW6MQ
EC Number: 208-820-2
Nikkaji: J421I

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 7
Formal charge: 0
Complexity: 62.7

Experimental & physicochemical properties

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physicochemical properties

Boiling point: 145 °C · 145°C
Density: 1 · 1,16 g/cm3
refractive index: 1.422 · 1.4220-1.4250
Flash point: 54 °C · 54°C
storage temp.: Inert atmosphere,Room Temperature
Water Solubility: Insoluble in water
form: clear liquid
color: Colorless to Light yellow
FDA UNII: 8 D17ZAW6MQ · 8D17ZAW6MQ
EPA Substance Registry System: 2 · Ethanol, 2-chloro-, acetate (542-58-5)
Symbol(GHS): 2 · GHS02,GHS06
Signal word: Danger
Hazard statements: 226 · H226-H300
Precautionary statements: 210 · P210-P233-P240-P241+P242+P243-P264-P270-P280-P301+P310+P330-P303+P361+P353-P403+P235-P405-P501
Hazard Codes: T+
Risk Statements: 10 · 10-23/24/25-26/27/28
Safety Statements: 26 · 26-36/37/39-45-36/37-28
RIDADR: 2929 · 2929
RTECS: 1010000 · KK1010000
TSCA: TSCA listed
HS Code: 2915.39 · 2915.39.9000
HazardClass: 6.1 · 6.1/3
PackingGroup: II

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P262, P264, P270, P271, P280, P284, P301+P316, P302+P352, P303+P361+P353, P304+P340, P316, P320, P321, P330, P361+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Safety data

tsca: TSCA listed
rtecs: KK1010000
ridadr: 2929
hs_code: 2915.39.9000
risk_code: 10-23/24/25-26/27/28
Signal word: Danger
Symbol(GHS): GHS02,GHS06
hazard_code: T+
safety_code: 26-36/37/39-45-36/37-28
hazard_class: 6.1/3
packing_group: II
Hazard statements: H226-H300
Precautionary statements: P210-P233-P240-P241+P242+P243-P264-P270-P280-P301+P310+P330-P303+P361+P353-P403+P235-P405-P501