3-(4-Tolyl)-3-(trifluoromethyl)diazirine
Basic information
- CAS
87736-85-4- Standard SMILES
Cc1ccc(C2(C(F)(F)F)N=N2)cc1- InChIKey
MZEBDXPEMDZNHB-UHFFFAOYSA-N- Molecular formula
- C9H7F3N2
- Average molar mass
- 200.16 g/mol
- Monoisotopic mass
- 200.05613272
Overview
structure given in first source
Names & identifiers
- Preferred name
- 3-(4-Tolyl)-3-(trifluoromethyl)diazirine
- IUPAC
- 3-(4-methylphenyl)-3-(trifluoromethyl)diazirine
- English name
- 3-(4-Methylphenyl)-3-(trifluoromethyl)diazirine
- Molecular formula
- C9H7F3N2
- Molecular weight
- 200.16
Names & synonyms
87736-85-43-(4-Tolyl)-3-(trifluoromethyl)diazirineTTFDADTXSID90236598RefChem:92492DTXCID201590893-(4-methylphenyl)-3-(trifluoromethyl)diazirine3-(p-Tolyl)-3-(trifluoromethyl)-3H-diazirine3-(4-Methylphenyl)-3-(trifluoromethyl)-3H-diazirineMFCD259682843H-Diazirine,3-(4-methylphenyl)-3-(trifluoromethyl)-SCHEMBL13619662
Show more names
4-[3-(trifluoromethyl)-3H-diaziren-3-yl]toluene3H-Diazirine, 3-(4-methylphenyl)-3-(trifluoromethyl)-
SCHEMBL20261725MZEBDXPEMDZNHB-UHFFFAOYSA-NAKOS030254850SY378068DB-217691EN300-89029364-[3-(trifluoromethyl)-3h-diazirin-3-yl]toluene
Database identifiers
- CAS
87736-85-4- PubChem CID
- 137345
- DTXSID
DTXSID90236598- Nikkaji
- J959.087K
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 24.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 245
Physicochemical properties
- Boiling point
- 201.8 · 201.8±50.0℃ (760 Torr)
- Density
- 1.34 · 1.34±0.1 g/cm3 (20 ºC 760 Torr)
- Flash point
- 75.8 · 75.8±30.1℃
- storage temp.
- -86 °C · Amber Vial, -86°C Freezer, Under inert atmosphere
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Oil
- color
- Clear Colourless
Chemistry & industry
Applications
Uses3-(4-Methylphenyl)-3-(trifluoromethyl)diazirine is used in photoaffinity probes.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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