Benzene, 1-(chloromethyl)-2-(1,1-dimethylethyl)-
Basic information
- CAS
56240-38-1- Standard SMILES
CC(C)(C)c1ccccc1CCl- InChIKey
FCNALCYSVKFCNX-UHFFFAOYSA-N- Molecular formula
- C11H15Cl
- Average molar mass
- 182.69 g/mol
- Monoisotopic mass
- 182.08622816
Names & identifiers
- Preferred name
- Benzene, 1-(chloromethyl)-2-(1,1-dimethylethyl)-
- IUPAC
- 1-tert-butyl-2-(chloromethyl)benzene
- English name
- 1-(chloromethyl)-2-tert-butyl-benzene
- Molecular formula
- C11H15Cl
- Molecular weight
- 182.69
Names & synonyms
o-tert-ButylbenzylchlorideBenzene, 1-(chloromethyl)-2-(1,1-dimethylethyl)-RefChem:5623781-tert-butyl-2-(chloromethyl)benzene56240-38-12-tert-Butylbenzyl chloride1-(CHLOROMETHYL)-2-TERT-BUTYL-BENZENEo-tert-Butyl-?-chlorotolueneo-tert-Butyl-a-chlorotolueneSCHEMBL4574280DTXSID6069088FCNALCYSVKFCNX-UHFFFAOYSA-N
Show more names
o-tert-Butyl-α-chlorotoluene1-(Chloromethyl)-2-(1,1-dimethylethyl)benzene
AKOS0175146151-(tert-Butyl)-2-(chloromethyl)benzeneDB-300771EN300-1982091
Database identifiers
- CAS
56240-38-1- PubChem CID
- 92075
- DTXSID
DTXSID6069088- Nikkaji
- J429.312F
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 134
Physicochemical properties
- Boiling point
- 230.2 · 230.2±9.0 °C(Predicted)
- Density
- 0.993 · 0.993±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator, under inert atmosphere
- solubility
- Chloroform (Slightly), Hexanes (Slightly)
- form
- Oil
- color
- Colourless
- EPA Substance Registry System
- 2 · 2-tert-Butylbenzyl chloride (56240-38-1)
- 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)-2-(1,1-dimethylethyl)-: INACTIVE
Applications
Useso-tert-Butyl-α-chlorotoluene is a useful research reagent for the competitive chloromethylation of alkylbenzenes.
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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