1-(2,4,6-Trifluorophenyl)-3,3-dimethyltriazene
Basic information
- CAS
82136-27-4- Standard SMILES
CN(C)N=Nc1c(F)cc(F)cc1F- InChIKey
BOTCREGAXGHOLG-UHFFFAOYSA-N- Molecular formula
- C8H8F3N3
- Average molar mass
- 203.16 g/mol
- Monoisotopic mass
- 203.06703175
Names & identifiers
- Preferred name
- 1-(2,4,6-Trifluorophenyl)-3,3-dimethyltriazene
- IUPAC
- N-methyl-N-[(2,4,6-trifluorophenyl)diazenyl]methanamine
- English name
- 1-(2,4,6-Trifluorophenyl)-3,3-dimethyltriazene
- Molecular formula
- C8H8F3N3
- Molecular weight
- 203.16
Names & synonyms
82136-27-41-(2,4,6-Trifluorophenyl)-3,3-dimethyltriazeneNSC-252933NSC 252933N-methyl-N-[(2,4,6-trifluorophenyl)diazenyl]methanamine3,3-Dimethyl-1-(2,4,6-trifluorophenyl)triazeneNSC252933Triazene, 3,3-dimethyl-1-(2,4,6-trifluorophenyl)-RX93SE9UW53,3-dimethyl-1-(2,4,6-trifluorophenyl)triaz-1-ene3,3-Dimethyl-1-(2,4,6-trifluorophenyl)-1-triazene1-Triazene, 3,3-dimethyl-1-(2,4,6-trifluorophenyl)-
Show more names
TRIFLUOROPHENYL)-3,3-DIMETHYLTRIAZENE, 1-(2,4,6-
Database identifiers
- CAS
82136-27-4- PubChem CID
- 99632
- UNII
- RX93SE9UW5
- Nikkaji
- J59.729E
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 28 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 198
Physicochemical properties
- Boiling point
- 212.722 · 212.722±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.269 · 1.269±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -1.837 · -1.837±0.70(predicted)
- FDA UNII
- 93 SE9UW5 · RX93SE9UW5
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Compound notes
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