(1-Chloro-1-methylethyl)benzene

HCID 70281CAS 934-53-2

Substructure search Find similar structures

Basic information

Standard SMILES: CC(C)(Cl)c1ccccc1
InChIKey: KPJKMUJJFXZGAX-UHFFFAOYSA-N
Molecular formula: C9H11Cl
Average molar mass: 154.63 g/mol
Monoisotopic mass: 154.05492803

Names & identifiers

Preferred name: (1-Chloro-1-methylethyl)benzene
IUPAC: 2-chloropropan-2-ylbenzene
English name: alpha,alpha-Dimethylbenzyl chloride
Molecular formula: C9H11Cl
Molecular weight: 154.64

Names & synonyms

934-53-2(1-Chloro-1-methylethyl)benzene(2-chloropropan-2-yl)benzene(2-Chloroprop-2-yl)benzeneBenzene, (1-chloro-1-methylethyl)-2-chloro-2-phenylpropaneMEG7ZUL2X0EINECS 213-284-8DTXSID80239412(1-METHYL-1-CHLOROETHYL)BENZENERefChem:392101DTXCID00161903

Show more names

dimethylbenzylchloridea,a-Dimethyl-benzylchloridα,α-Dimethylbenzyl chloride(A-CHLORO-ISOPROPYL)-BENZENE(α-CHLORO-ISOPROPYL)-BENZENE1-Methyl-1-chloroethylbenzene

213-284-8alpha,alpha-Dimethylbenzyl chloridecumyl chloride2-chloropropan-2-ylbenzenea,a-dimethylbenzylchlorideA,A-Dimethylbenzyl chlorideMFCD00040715alpha,alpha-Dimethylbenzylchloride

Database identifiers

CAS: 934-53-2
PubChem CID: 70281
DTXSID: DTXSID80239412
UNII: MEG7ZUL2X0
EC Number: 213-284-8
Nikkaji: J31.723C

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 101

Experimental & physicochemical properties

SpringerMaterials PropertiesOptical coefficient

Physicochemical properties

Melting point: -43.35 °C · -43.35°C (estimate)
Boiling point: 48 · 48-50°C 0,5mm
Density: 1.0324 · 1.0324 (estimate)
refractive index: 1.529 · 1.5290
storage temp.: 2 · 2-8°C, stored under nitrogen
solubility: soluble in Chloroform
form: liquid
color: Colourless to light yellow
CAS DataBase Reference: 934 · 934-53-2(CAS DataBase Reference)
FDA UNII: 7 ZUL2X0 · MEG7ZUL2X0
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Hazard Codes: C
Risk Statements: 34 · 34-36
Safety Statements: 26 · 26-36/37/39
RIDADR: 3265 · 3265
Hazard Note: Corrosive
HS Code: 2903998090 · 2903998090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H227 (66.7%): Combustible liquid [Warning Flammable liquids]

P210, P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P370+P378, P403, P403+P233, 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. 4 (66.7%)

Safety data

ridadr: 3265
hs_code: 2903998090
risk_code: 34-36
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: C
hazard_note: Corrosive
safety_code: 26-36/37/39
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313