Basic information
- CAS
23250-48-8- Standard SMILES
CC(C)c1cc(CCl)cc(C(C)C)c1- InChIKey
NMWZQSCFUXEUOL-UHFFFAOYSA-N- Molecular formula
- C13H19Cl
- Average molar mass
- 210.74 g/mol
- Monoisotopic mass
- 210.1175283
Names & identifiers
- Preferred name
- Benzene, 1-(chloromethyl)-3,5-bis(1-methylethyl)-
- IUPAC
- 1-(chloromethyl)-3,5-di(propan-2-yl)benzene
- English name
- α-Chloro-3,5-diisopropyltoluene
- Molecular formula
- C13H19Cl
- Molecular weight
- 210.74296
Names & synonyms
Toluene, alpha-chloro-3,5-diisopropyl-Benzene, 1-(chloromethyl)-3,5-bis(1-methylethyl)-RefChem:5623833,5-Diisopropylbenzyl chloride23250-48-81-(chloromethyl)-3,5-di(propan-2-yl)benzeneDTXSID6066866NMWZQSCFUXEUOL-UHFFFAOYSA-N1-(Chloromethyl)-3,5-bis(1-methylethyl)benzeneα-Chloro-3,5-diisopropyltoluene
Database identifiers
- CAS
23250-48-8- PubChem CID
- 90042
- DTXSID
DTXSID6066866- Nikkaji
- J422.112E
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
- 147
Physicochemical properties
- EPA Substance Registry System
- 3 · 3,5-Diisopropylbenzyl chloride (23250-48-8)
- 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-(chloromethyl)-3,5-bis(1-methylethyl)-: ACTIVE
Suppliers1 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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