Benzene, 2-(chloromethyl)-1,4-bis(1-methylethyl)-
Basic information
- CAS
58502-84-4- Standard SMILES
CC(C)c1ccc(C(C)C)c(CCl)c1- InChIKey
QWGSROBWVPQERA-UHFFFAOYSA-N- Molecular formula
- C13H19Cl
- Average molar mass
- 210.74 g/mol
- Monoisotopic mass
- 210.1175283
Names & identifiers
- Preferred name
- Benzene, 2-(chloromethyl)-1,4-bis(1-methylethyl)-
- IUPAC
- 2-(chloromethyl)-1,4-di(propan-2-yl)benzene
- English name
- 2-(Chloromethyl)-1,4-bis(1-methylethyl)benzene
- Molecular formula
- C13H19Cl
- Molecular weight
- 210.74
Names & synonyms
3,6-Diisopropylbenzylchloride3,6-Diisopropylbenzyl chlorideBenzene, 2-(chloromethyl)-1,4-bis(1-methylethyl)-RefChem:5625552,5-Diisopropylbenzyl chloride58502-84-42-(chloromethyl)-1,4-di(propan-2-yl)benzene2-(Chloromethyl)-1,4-bis(1-methylethyl)benzeneDTXSID4069262QWGSROBWVPQERA-UHFFFAOYSA-NDB-3019432-(chloromethyl)-1,4-diisopropylbenzene
Database identifiers
- CAS
58502-84-4- PubChem CID
- 94086
- DTXSID
DTXSID4069262- Nikkaji
- J429.371A
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- EPA Substance Registry System
- 2 · 2,5-Diisopropylbenzyl chloride (58502-84-4)
- 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, 2-(chloromethyl)-1,4-bis(1-methylethyl)-: INACTIVE
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Related reactions
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Compound notes
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