Benzoyl fluoride, 4-(trifluoromethoxy)-

HCID 67612

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Basic information

CAS: 330-11-0
Standard SMILES: O=C(F)c1ccc(OC(F)(F)F)cc1
InChIKey: UKJWAZZCGZQPTA-UHFFFAOYSA-N
Molecular formula: C8H4F4O2
Average molar mass: 208.11 g/mol
Monoisotopic mass: 208.01474225

Names & identifiers

Preferred name: Benzoyl fluoride, 4-(trifluoromethoxy)-
IUPAC: 4-(trifluoromethoxy)benzoyl fluoride
English name: 4-(Trifluoromethoxy)benzoyl fluoride
Molecular formula: C8H4F4O2
Molecular weight: 208.11

Names & synonyms

4-(Trifluoromethoxy)benzoyl fluorideBenzoyl fluoride, 4-(trifluoromethoxy)-EINECS 206-351-8DTXSID5059820RefChem:118779DTXCID6038619206-351-8330-11-0MFCD000408364-trifluoromethoxybenzoyl fluorideSCHEMBL7714214p-Trifluoromethoxybenzoyl fluoride

Show more names

Trifluoromethoxybenzoylfluoride4-(trifluoromethoxy)-benzoylfluorid4-(TRIFLUOROMETHOXY)BENZOYL FLUOROIDEBenzoyl fluoride, 4-(trifluoromethoxy)- (9CI)

HS-3442NS00042310

Database identifiers

CAS: 330-11-0
PubChem CID: 67612
DTXSID: DTXSID5059820
EC Number: 206-351-8
Nikkaji: J193.757J

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 206

Physicochemical properties

Boiling point: 164 · 164-165°C 12mm
Density: 1.384 · 1.384±0.06 g/cm3(Predicted)
EPA Substance Registry System: 4 · Benzoyl fluoride, 4-(trifluoromethoxy)- (330-11-0)
Risk Statements: 34 · 34
Safety Statements: 26 · 26-36/37/39
RIDADR: 3265 · 3265
TSCA: TSCA listed