Basic information
- CAS
622-83-3- Standard SMILES
N#CN=Nc1ccccc1- InChIKey
QGWQTKPYQSONBC-UHFFFAOYSA-N- Molecular formula
- C7H5N3
- Average molar mass
- 131.13 g/mol
Names & identifiers
- Preferred name
- (E)-Phenyldiazene-1-carbonitrile
- IUPAC
- phenyliminocyanamide
- English name
- 2-Phenyldiazene-1-carbonitrile
- Molecular formula
- C7H5N3
- Molecular weight
- 131.13
Names & synonyms
cyanoazobenzene(E)-Phenyldiazene-1-carbonitrileBenzoldiazoniumcyanid64661-86-5622-83-3SCHEMBL1902199SCHEMBL1902202DTXSID10502883Benzenediazo cyanideDiazenecarbonitrile, 2-phenyl-2-Phenyldiazene-1-carbonitrile
Database identifiers
- CAS
622-83-3- DTXSID
DTXSID10502883- Nikkaji
- J95.563I
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 48.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 159
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
LogP2.3
Physicochemical properties
- Melting point
- 98 °C · 98 °C (decomp)(Solv: methanol (67-56-1))
- Boiling point
- 204.7 · 204.7±23.0 °C(Predicted)
- Density
- 1.06 · 1.06±0.1 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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