1,2-Benzenedicarbonitrile, 4,4'-oxybis-
Basic information
- CAS
23277-29-4- Standard SMILES
N#Cc1ccc(Oc2ccc(C#N)c(C#N)c2)cc1C#N- InChIKey
XMTHKRUBGGLPJA-UHFFFAOYSA-N- Molecular formula
- C16H6N4O
- Average molar mass
- 270.24 g/mol
- Monoisotopic mass
- 270.05416083
Names & identifiers
- Preferred name
- 1,2-Benzenedicarbonitrile, 4,4'-oxybis-
- IUPAC
- 4-(3,4-dicyanophenoxy)benzene-1,2-dicarbonitrile
- English name
- 1,2-Benzenedicarbonitrile,4,4'-oxybis-
- Molecular formula
- C16H6N4O
- Molecular weight
- 270.24
Names & synonyms
23277-29-41,2-Benzenedicarbonitrile, 4,4'-oxybis-DTXSID60177843RefChem:1052124DTXCID201003344,4'-oxydiphthalonitrile4,4'-Oxybis(phthalonitrile)4-(3,4-dicyanophenoxy)benzene-1,2-dicarbonitrileMLS0026952703,3',4,4'-Tetracyanodiphenyl oxide4,4'-Oxybis-1,2-benzenedicarbonitrileBRN 2759987
Show more names
1,2-Benzenedicarbonitrile,4,4'-oxybis-
NSC948084,4'-oxydibenzene-1,2-dicarbonitrileNCIOpen2_005868Phthalonitrile, 4,4'-oxydi-SCHEMBL4581525SCHEMBL29390509XMTHKRUBGGLPJA-UHFFFAOYSA-NHMS3087M03
Database identifiers
- CAS
23277-29-4- PubChem CID
- 96941
- DTXSID
DTXSID60177843- EC Number
- 105-169-5
- Nikkaji
- J2.497.552E
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 524
Physicochemical properties
- Melting point
- 255 °C · 255 °C (sublm)
- Boiling point
- 539.8 · 539.8±50.0 °C(Predicted)
- Density
- 1.38 · 1.38±0.1 g/cm3(Predicted)
Chemistry & industry
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