1-Methyl-2-(trichloromethyl)benzene
Basic information
- CAS
3335-33-9- Standard SMILES
Cc1ccccc1C(Cl)(Cl)Cl- InChIKey
CBXDCGQZMAUIHD-UHFFFAOYSA-N- Molecular formula
- C8H7Cl3
- Average molar mass
- 209.5 g/mol
- Monoisotopic mass
- 207.96133326
Names & identifiers
- Preferred name
- 1-Methyl-2-(trichloromethyl)benzene
- IUPAC
- 1-methyl-2-(trichloromethyl)benzene
- English name
- alpha,alpha,alpha-trichloro-o-xylene
- Molecular formula
- C8H7Cl3
- Molecular weight
- 209.50018
Names & synonyms
3335-33-9alpha,alpha,alpha-Trichloro-o-xylene1-Methyl-2-(trichloromethyl)benzeneEINECS 222-069-8a,a,a-trichloro-o-xyleneSCHEMBL596305SCHEMBL8728943SCHEMBL8947032SCHEMBL9418450DTXSID30186967CBXDCGQZMAUIHD-UHFFFAOYSA-N1-Methyl-2-(trichloromethyl)benzene #
Show more names
α,α,α-Trichloro-o-xyleneα,α,α-Trichloro-o-xylene in isooctane
Benzene, 1-methyl-2-(trichloromethyl)-NS00029465
Database identifiers
- CAS
3335-33-9- PubChem CID
- 76854
- DTXSID
DTXSID30186967- EC Number
- 222-069-8
- Nikkaji
- J205.422A
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 128
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Compound notes
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