(E)-3-(3-(Trifluoromethyl)phenyl)acrylonitrile
Basic information
- CAS
58177-64-3- Standard SMILES
N#C/C=C/c1cccc(C(F)(F)F)c1- InChIKey
AQKTWIMZLCJHDR-DUXPYHPUSA-N- Molecular formula
- C10H6F3N
- Average molar mass
- 197.16 g/mol
- Monoisotopic mass
- 197.04523368
Names & identifiers
- Preferred name
- (E)-3-(3-(Trifluoromethyl)phenyl)acrylonitrile
- IUPAC
- (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enenitrile
- English name
- (E)-3-[3-(trifluoromethyl)phenyl]acrylonitrile
- Molecular formula
- C10H6F3N
- Molecular weight
- 197.16
Names & synonyms
(E)-3-(3-(Trifluoromethyl)phenyl)acrylonitrileEINECS 261-154-43G4S2P7V2A(E)-3-[3-(TRIFLUOROMETHYL)PHENYL]ACRYLONITRILE(2E)-3-[3-(Trifluoromethyl)phenyl]-2-propenenitrile(2E)-3-(3-(TRIFLUOROMETHYL)PHENYL)-2-PROPENENITRILE2-PROPENENITRILE, 3-(3-(TRIFLUOROMETHYL)PHENYL)-, (2E)-RefChem:70008261-154-458177-64-33-[3-(trifluoromethyl)phenyl]prop-2-enenitrile(2E)-3-[3-(TRIFLUOROMETHYL)PHENYL]PROP-2-ENENITRILE
Show more names
(E)-3-[3-(Trifluoromethyl)phenyl]propenenitrile2-Propenenitrile, 3-[3-(trifluoromethyl)phenyl]-, (2E)-
(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enenitrile3-(3-(Trifluoromethyl)phenyl)acrylonitrileUNII-3G4S2P7V2ASCHEMBL1722536DTXSID001221962DB-290087CS-0305053NS00052995
Database identifiers
- CAS
58177-64-3- PubChem CID
- 6436705
- DTXSID
DTXSID001221962- UNII
- 3G4S2P7V2A
- EC Number
- 261-154-4
- Nikkaji
- J296.893B
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 258
Physicochemical properties
- Boiling point
- 259.8 · 259.8±35.0 °C(Predicted)
- Density
- 1.253 · 1.253±0.06 g/cm3(Predicted)
- FDA UNII
- 3 G4S2P7V2A · 3G4S2P7V2A
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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