1,5-Dibromo-2-methyl-4-(trifluoromethyl)benzene
Basic information
- CAS
231285-88-4- Standard SMILES
Cc1cc(C(F)(F)F)c(Br)cc1Br- InChIKey
QQVJNJCYMJBWKB-UHFFFAOYSA-N- Molecular formula
- C8H5Br2F3
- Average molar mass
- 317.93 g/mol
- Monoisotopic mass
- 315.87101
Names & identifiers
- Preferred name
- 1,5-Dibromo-2-methyl-4-(trifluoromethyl)benzene
- IUPAC
- 1,5-dibromo-2-methyl-4-(trifluoromethyl)benzene
- English name
- 2,4-Dibromo-5-methylbenzotrifluoride
- Molecular formula
- C8H5Br2F3
- Molecular weight
- 317.93
Names & synonyms
1,5-dibromo-2-methyl-4-(trifluoromethyl)benzene231285-88-42,4-Dibromo-5-methylbenzotrifluorideBenzene, 1,5-dibromo-2-methyl-4-(trifluoromethyl)-SCHEMBL19627260DTXSID30371614AKOS004904077DB-3643592,4-DIBROMO-5-(TRIFLUOROMETHYL)TOLUENE2,4-Dibromo-5-(trifluoromethyl)toluene, 1,5-Dibromo-2-methyl-4-(trifluoromethyl)benzene
Database identifiers
- CAS
231285-88-4- PubChem CID
- 2736800
- DTXSID
DTXSID30371614
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 181
Physicochemical properties
- Boiling point
- 251.1 · 251.1±35.0 °C(Predicted)
- Density
- 1.852 · 1.852±0.06 g/cm3(Predicted)
- Hazard Note
- Harmful
- HS Code
- 2903998090 · 2903998090
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
- hs_code
- 2903998090
- hazard_note
- Harmful
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Compound notes
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