Benzenemethanamine, N-[(pentafluorophenyl)methylene]-
Basic information
- CAS
142827-73-4- Standard SMILES
Fc1c(F)c(F)c(C=NCc2ccccc2)c(F)c1F- InChIKey
NVSXMIARPOKNGA-UHFFFAOYSA-N- Molecular formula
- C14H8F5N
- Average molar mass
- 285.21 g/mol
- Monoisotopic mass
- 285.05769007
Overview
See also: Benzyl-(2,3,4,5,6-pentafluoro-benzylidene)-amine (annotation moved to).
Names & identifiers
- Preferred name
- Benzenemethanamine, N-[(pentafluorophenyl)methylene]-
- IUPAC
- N-benzyl-1-(2,3,4,5,6-pentafluorophenyl)methanimine
- English name
- (E)-benzyl[(2,3,4,5,6-pentafluorophenyl)methylidene]amine
- Molecular formula
- C14H8F5N
- Molecular weight
- 285.21
Names & synonyms
Benzenemethanamine, N-[(pentafluorophenyl)methylene]-142827-73-4SCHEMBL7267410SCHEMBL7267415DTXSID60392514AKOS024332020(E)-N-Benzyl-1-(pentafluorophenyl)methanimineN-(2,3,4,5,6-pentafluorobenzylidene)(phenyl)methanamineBENZYL-(2,3,4,5,6-PENTAFLUORO-BENZYLIDENE)-AMINE(E)-benzyl[(2,3,4,5,6-pentafluorophenyl)methylidene]amine
Database identifiers
- CAS
142827-73-4- PubChem CID
- 3442452
- DTXSID
DTXSID60392514- Nikkaji
- J770.182I
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 12.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 316
Physicochemical properties
- Melting point
- 85 °C · 85 °C
- Boiling point
- 303.117 · 303.117±42.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.295 · 1.295±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 2.291 · 2.291±0.50(predicted)
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 410 · H410
- Precautionary statements
- 273 · P273-P391-P501
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
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H410
- Precautionary statements
- P273-P391-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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