Basic information
- CAS
824-47-5- Standard SMILES
CC(CCl)c1ccccc1- InChIKey
SXVRSCIZJBGJGB-UHFFFAOYSA-N- Molecular formula
- C9H11Cl
- Average molar mass
- 154.63 g/mol
- Monoisotopic mass
- 154.05492803
Names & identifiers
- Preferred name
- Cumene, beta-chloro-
- IUPAC
- 1-chloropropan-2-ylbenzene
- English name
- 1-Chloro-2-phenylpropane
- Molecular formula
- C9H11Cl
- Molecular weight
- 154.64
Names & synonyms
Cumene, .beta.-chloro-824-47-51-Chloro-2-phenylpropaneBenzene, (2-chloro-1-methylethyl)-.beta.-Chlorocumene(.beta.-Chloroisopropyl)benzeneDTXSID00335061Benzene, [1-(chloromethyl)ethyl]Benzene, (1-(chloromethyl)ethyl)beta-ChlorocumeneCumene, beta-chloro-RefChem:334831
Show more names
(1-Methyl-2-chloroethyl)benzene
(beta-Chloroisopropyl)benzeneDTXCID50286150SXVRSCIZJBGJGB-UHFFFAOYSA-N(1-Chloropropan-2-yl)benzene2-phenyl-1-chloropropaneSCHEMBL1874851SCHEMBL2698493SCHEMBL2835729
Database identifiers
- CAS
824-47-5- PubChem CID
- 522778
- DTXSID
DTXSID00335061- Nikkaji
- J100.163I
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 84.7
Physicochemical properties
- Melting point
- -43.35 °C · -43.35°C (estimate)
- Boiling point
- 214.31 °C · 214.31°C (estimate)
- Density
- 1.0324 · 1.0324 (estimate)
- refractive index
- 1.5245 · 1.5245
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers1 total
CHEMSAMPCO[email protected]
Related reactions
3 records
Compound notes
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