Chloro(phenyl)acetyl chloride

HCID 102902

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Basic information

CAS: 2912-62-1
Standard SMILES: O=C(Cl)C(Cl)c1ccccc1
InChIKey: FGEAOSXMQZWHIQ-UHFFFAOYSA-N
Molecular formula: C8H6Cl2O
Average molar mass: 189.04 g/mol
Monoisotopic mass: 187.9795702

Names & identifiers

Preferred name: Chloro(phenyl)acetyl chloride
IUPAC: 2-chloro-2-phenylacetyl chloride
English name: 2-Chloro-2-phenylacetyl chloride
Molecular formula: C8H6Cl2O
Molecular weight: 189.04

Names & synonyms

2912-62-1Chloro(phenyl)acetyl chloridealpha-Chlorophenylacetyl chloride.alpha.-Chlorophenylacetyl chlorideEINECS 220-826-73P316SLR5BCCRIS 8624DTXSID50951710.ALPHA.-CHLOROBENZENEACETYL CHLORIDE.ALPHA.-CHLORO-.ALPHA.-PHENYLACETYL CHLORIDERefChem:575742Alpha-chlorobenzeneacetyl chloride

Show more names

α-Chlorophenylacetyl chlorideTIMTEC-BB SBB007783LABOTEST-BB LTBB000774Phenylchloroacetyl chlorideA-CHLOROPHENYLACETYL CHLORIDE±-Chlorophenylacetyl Chlorideα-Chlorobenzeneacetyl chlorideChlorophenylacetic acid chloridePhenylchloroacetic acid chloride

DTXCID301379821PHENYL(CHLORO)ACETYL CHLORIDE, (+-)-(+-)-2-CHLORO-2-PHENYLACETYL CHLORIDEALPHA-CHLORO-ALPHA-PHENYLACETYL CHLORIDE220-826-72-chloro-2-phenylacetyl chlorideMFCD00000857Benzeneacetyl chloride, alpha-chloro-

Database identifiers

CAS: 2912-62-1
PubChem CID: 102902
DTXSID: DTXSID50951710
UNII: 3P316SLR5B
EC Number: 220-826-7
Nikkaji: J265.495D

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 141

Physicochemical properties

Melting point: 285 °C · 285 °C
Boiling point: 120 °C/23 · 120 °C/23 mmHg (lit.)
Density: 1.196 g/mL · 1.196 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.544(lit.)
Flash point: 220 °F · 220 °F
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: liquid
BRN: 1073019 · 1073019
InChI: 1S/C8H6Cl2O/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H
InChIKey: FGEAOSXMQZWHIQ-UHFFFAOYSA-N
SMILES: ClC(C(Cl)=O)c1ccccc1
CAS DataBase Reference: 2912 · 2912-62-1(CAS DataBase Reference)
FDA UNII: 3 P316SLR5B · 3P316SLR5B
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS05,GHS07
Signal word: Danger
Hazard statements: 226 · H226-H261-H314-H335
Precautionary statements: 210 · P210-P231+P232-P233-P280-P303+P361+P353-P305+P351+P338
target organs: Respiratory system
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: C
Risk Statements: 34 · 34-36/37-14-10
Safety Statements: 26 · 26-36/37/39-45-27
RIDADR: 3265 · UN 3265 8/PG 2
WGK Germany: 3 · 3
F: 19 · 19-21
HazardClass: 8 · 8
PackingGroup: III
HS Code: 2916340000 · 2916340000
Storage Class: 4.3 · 4.3 - Hazardous materials which set free flammable gases upon contact with water
Hazard Classifications: 1 Flam · Eye Dam. 1Flam. Liq. 3Skin Corr. 1BSTOT SE 3Water-react 3

Safety & regulation

Safety data

F: 19-21
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 3265 8/PG 2
hs_code: 2916340000
risk_code: 34-36/37-14-10
Signal word: Danger
Symbol(GHS): GHS02,GHS05,GHS07
hazard_code: C
safety_code: 26-36/37/39-45-27
hazard_class: 8
Storage Class: 4.3 - Hazardous materials which set free flammable gases upon contact with water
packing_group: III
target organs: Respiratory system
Hazard statements: H226-H261-H314-H335
Hazard Classifications: Eye Dam. 1Flam. Liq. 3Skin Corr. 1BSTOT SE 3Water-react 3
Precautionary statements: P210-P231+P232-P233-P280-P303+P361+P353-P305+P351+P338

Chemistry & industry

Applications

Uses2-CHLORO-2-PHENYLACETYL CHLORIDE was used in the synthesis of α-chlorophenylacetic acid (CPAA) 1 . It was also used to prepare chloro-telechelic macroinitiators 2 .

Usesα-Chlorophenylacetyl chloride was used in the synthesis of α-chlorophenylacetic acid (CPAA). It was also used to prepare chloro-telechelic macroinitiators.