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Basic Information
CAS No.: 693-85-6
Name: 3,3-Difluoro-3H-diazirine
Molecular Structure:
Molecular Structure of 693-85-6 (3,3-Difluoro-3H-diazirine)
Formula: CF2N2
Molecular Weight: 78.0212
Synonyms: 3H-Diazirine,3,3-difluoro;3,3-Difluor-diazirin;Difluoro-3H-diazirine;3,3-difluoro-3H-diazirine;Difluordiazirin;Perfluordiazirin;Difluordiazomethan;Difluorodiazirine;
Density: 1.95g/cm3
Boiling Point: °Cat760mmHg
Flash Point: °C
Safety: An explosive sensitive to heat or exposure to light. When heated to decomposition it emits toxic fumes of F− and NOx.
PSA: 24.72000
LogP: -0.12630
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Chemistry

Molecule structure of 3H-Diazirine, 3,3-difluoro- (CAS NO.693-85-6):

IUPAC Name of 3H-Diazirine, 3,3-difluoro- (CAS NO.693-85-6): 3,3-Difluorodiazirine 
Molecular Weight: 78.020906 g/mol
Molecular Formula: CF2N2 
Density: 1.95 g/cm3
Index of Refraction: 1.462
Molar Refractivity: 10.98 cm3
Molar Volume: 39.8 cm3
Polarizability: 4.35×10-24 cm3
Surface Tension: 29.4 dyne/cm 
Enthalpy of Vaporization: 17.21 kJ/mol
Vapour Pressure: 24900 mmHg at 25 °C
XLogP3-AA: 1
H-Bond Acceptor: 4
Exact Mass: 78.002954
MonoIsotopic Mass: 78.002954
Topological Polar Surface Area: 24.7
Heavy Atom Count: 5
Complexity: 67.7
Canonical SMILES: C1(N=N1)(F)F
InChI: InChI=1S/CF2N2/c2-1(3)4-5-1
InChIKey of 3H-Diazirine, 3,3-difluoro- (CAS NO.693-85-6): FADBWTVPDJZQOE-UHFFFAOYSA-N

Safety Profile

An explosive sensitive to heat or exposure to light. When heated to decomposition it emits toxic fumes of F− and NOx.