Benzene, 1-chloro-2-(1-methylethyl)-
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Basic information
- CAS
2077-13-6- Standard SMILES
CC(C)c1ccccc1Cl- InChIKey
RNEMUWDQJSRDMQ-UHFFFAOYSA-N- Molecular formula
- C9H11Cl
- Average molar mass
- 154.63 g/mol
- Monoisotopic mass
- 154.054928
Names & identifiers
- Preferred name
- Benzene, 1-chloro-2-(1-methylethyl)-
- IUPAC
- 1-chloro-2-propan-2-ylbenzene
- English name
- 2-chlorocumene
- Molecular formula
- C9H11Cl
- Molecular weight
- 154.63664
Names & synonyms
Benzene, 1-chloro-2-(1-methylethyl)-EINECS 218-200-3RefChem:562432o-Chlorocumene1-Chloro-2-(propan-2-yl)benzene2077-13-62-Chlorocumene1-chloro-2-propan-2-ylbenzeneCumene, o-chloro-2-Isopropylchlorobenzene1-Chloro-2-isopropylbenzenechlorocumene
Show more names
1-Isopropyl-2-chlorobenzene1-Chloro-2-(1-methylethyl)benzene
o-chloroisopropylbenzene2-Chloroisopropylbenzeneo-chloro-isopropylbenzene6D7CCX4CKBSCHEMBL845091-chloro-2-isopropyl-benzene1-Chloro-2-isopropylbenzene #SCHEMBL1005755
Database identifiers
- CAS
2077-13-6- PubChem CID
- 16377
- DTXSID
DTXSID2062165- UNII
- 6D7CCX4CKB
- EC Number
- 218-200-3
- Nikkaji
- J100.157D
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 98.9
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -74.4 °C · -74.4°C
- Boiling point
- 191.15 °C · 191.15°C
- Density
- 1.0324 · 1.0324 (estimate)
- refractive index
- 1.5168 · 1.5168
- EPA Substance Registry System
- o-Chlorocumene (2077-13-6)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 1-chloro-2-(1-methylethyl)-: INACTIVE
Upstream & downstream products
Upstream raw materials
Related reactions
3 records
Compound notes
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