4-Chloro-2-butanone

HCID 80608

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Basic information

CAS: 6322-49-2
Standard SMILES: CC(=O)CCCl
InChIKey: MAGOYBJJLVSJIC-UHFFFAOYSA-N
Molecular formula: C4H7ClO
Average molar mass: 106.55 g/mol
Monoisotopic mass: 106.01854252

Names & identifiers

Preferred name: 4-Chloro-2-butanone
IUPAC: 4-chlorobutan-2-one
English name: 4-Chloro-2-butanone
Molecular formula: C4H7ClO
Molecular weight: 106.55

Names & synonyms

4-Chloro-2-butanone4-Chlorobutan-2-one2-Butanone, 4-chloro-1-Chloro-3-butanone224CY68X2VEINECS 228-680-6NSC-32104DTXSID00212585NSC 32104RefChem:98353DTXCID30135076MAGOYBJJLVSJIC-UHFFFAOYSA-N

Show more names

2-ChloroethylmethylketoneTIMTEC-BB SBB0078244-Chloro-2-butanone, Pract.B-CHLOROETHYL METHYL KETONETIANFUCHEM--6322-49-2--4-CHLORO-2-BUTANONE factory price

6322-49-22-Chloroethyl methyl ketoneMFCD000371164-chloro-butan-2-onechloromethyl acetone1-Chloro-3-butanone; 2-Chloroethyl Methyl Ketone; 4-Chlorobutan-2-one; NSC 32104; ss-Chloroethyl Methyl KetoneNSC32104methyl beta-chloroethyl ketone

Database identifiers

CAS: 6322-49-2
PubChem CID: 80608
DTXSID: DTXSID00212585
UNII: 224CY68X2V
EC Number: 228-680-6
Nikkaji: J97.982A

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 6
Formal charge: 0
Complexity: 51.5

Experimental & physicochemical properties

SpringerMaterials PropertiesOptical coefficient

Physicochemical properties

Boiling point: 146 ℃ · 146℃
Density: 1.033 · 1.033
refractive index: 1.4299 · 1.4299-1.4334
Flash point: 45 ℃ · 45℃
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
solubility: Chloroform, Ethyl Acetate (Slightly)
form: Oil
color: Black
InChI: InChI=1S/C4H7ClO/c1-4(6)2-3-5/h2-3H2,1H3
InChIKey: MAGOYBJJLVSJIC-UHFFFAOYSA-N
SMILES: CC(=O)CCCl
LogP: 0.666 · 0.666 (est)
FDA UNII: 224 CY68X2V · 224CY68X2V
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319
Precautionary statements: 501 · P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P302+P352+P312-P304+P340+P312

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Regulatory InformationChemical: 2-Butanone, 4-chloro-

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

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302+H312+H332-H315-H319
Precautionary statements: P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P302+P352+P312-P304+P340+P312