(1-Chloro-1-methylethyl)benzene
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Basic information
- CAS
934-53-2- 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 propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 0 Ų
- 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
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
30 records
Compound notes
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