3-Phenyl-3-(trifluoromethyl)diaziridine
Basic information
- CAS
40618-96-0- Standard SMILES
FC(F)(F)C1(c2ccccc2)NN1- InChIKey
IDYOLIBOFIMVHB-UHFFFAOYSA-N- Molecular formula
- C8H7F3N2
- Average molar mass
- 188.15 g/mol
- Monoisotopic mass
- 188.05613272
Names & identifiers
- Preferred name
- 3-Phenyl-3-(trifluoromethyl)diaziridine
- IUPAC
- 3-phenyl-3-(trifluoromethyl)diaziridine
- English name
- 3-(TrifluoroMethyl)-3-phenyldiaziridine
- Molecular formula
- C8H7F3N2
- Molecular weight
- 188.15
Names & synonyms
3-phenyl-3-(trifluoromethyl)diaziridine40618-96-0DTXSID90345432RefChem:281746DTXCID802965053-Phenyl-3-(trifluoromethyl)-diaziridine3-(Trifluoromethyl)-3-phenyldiaziridineDiaziridine, 3-phenyl-3-(trifluoromethyl)-3-Phenyl-3-trifluoromethyldiaziridineSCHEMBL14216812DB-262478I83023
Show more names
F575725
Database identifiers
- CAS
40618-96-0- PubChem CID
- 604480
- DTXSID
DTXSID90345432- Nikkaji
- J3.611.540H
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 43.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 192
Physicochemical properties
- Boiling point
- 187.5 · 187.5±50.0 °C(Predicted)
- Density
- 1.334 · 1.334±0.06 g/cm3(Predicted)
- solubility
- Chloroform, Dichloromethane, Diethyl Ether, Ethyl Acetate
- form
- White Wax
- pka
- 2.83 · 2.83±0.40(Predicted)
Chemistry & industry
Applications
Uses3-Phenyl-3-(trifluoromethyl)-diaziridine is intermediate in the synthesis of a diazirine photophore useful in photoaffinity labelling.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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