1-(Trichloromethyl)-4-(trifluoromethyl)benzene
Basic information
- CAS
13947-96-1- Standard SMILES
FC(F)(F)c1ccc(C(Cl)(Cl)Cl)cc1- InChIKey
NTFZDVDWIVFEEI-UHFFFAOYSA-N- Molecular formula
- C8H4Cl3F3
- Average molar mass
- 263.5 g/mol
- Monoisotopic mass
- 261.933068
Names & identifiers
- Preferred name
- 1-(Trichloromethyl)-4-(trifluoromethyl)benzene
- IUPAC
- 1-(trichloromethyl)-4-(trifluoromethyl)benzene
- English name
- 1-(trichloromethyl)-4-(trifluoromethyl)benzene
- Molecular formula
- C8H4Cl3F3
- Molecular weight
- 263.4715696
Names & synonyms
1-(Trichloromethyl)-4-(trifluoromethyl)benzene13947-96-1EINECS 237-729-0DTXSID70161056RefChem:74788DTXCID0083547237-729-0MFCD23701757Z2R9GYC5VRSCHEMBL1539075AKOS0160113554-(TRICHLOROMETHYL)BENZOTRIFLUORIDE
Show more names
4-(Trifluoromethyl)-benzotrichloride
DB-3318074-(Trichloromethyl)-(trifluoromethyl)benzeneNS00052416
Database identifiers
- CAS
13947-96-1- PubChem CID
- 84115
- DTXSID
DTXSID70161056- UNII
- Z2R9GYC5VR
- EC Number
- 237-729-0
- Nikkaji
- J216.786G
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 189
Physicochemical properties
- storage temp.
- 2 · 2-8°C
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Compound notes
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