Basic information
- CAS
1754-74-1- Standard SMILES
CC(C)(Cl)Cc1ccccc1- InChIKey
YMKBSXVBAHEQHF-UHFFFAOYSA-N- Molecular formula
- C10H13Cl
- Average molar mass
- 168.66 g/mol
- Monoisotopic mass
- 168.0705781
Names & identifiers
- Preferred name
- 1-Phenyl-2-chloro-2-methylpropane
- IUPAC
- (2-chloro-2-methylpropyl)benzene
- English name
- (2-chloro-2-methylpropyl)benzene
- Molecular formula
- C10H13Cl
- Molecular weight
- 168.66
Names & synonyms
1754-74-11-phenyl-2-chloro-2-methylpropaneDTXSID90304605RefChem:233111DTXCID20255737(2-chloro-2-methylpropyl)benzeneMFCD00234669(2-chloro-2-methyl-propyl)benzeneNSC166451SCHEMBL2698490SCHEMBL3528108SCHEMBL27953917
Show more names
YMKBSXVBAHEQHF-UHFFFAOYSA-NAC4724AKOS006273920Benzene, (2-chloro-2-methylpropyl)-NSC-166451SY096691CS-0045316
Database identifiers
- CAS
1754-74-1- PubChem CID
- 296357
- DTXSID
DTXSID90304605- Nikkaji
- J641.240H
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 112
Physicochemical properties
- Boiling point
- 95 · 95-97 °C(Press: 10 Torr)
- Density
- 1.0155 g/cm3 · 1.0155 g/cm3
Chemistry & industry
Suppliers1 total
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
Related reactions
6 records
Compound notes
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