4,4'-Biphenyldiisocyanate
Completing data — refresh the page later to see the latest
Basic information
- CAS
2761-22-0- Standard SMILES
O=C=Nc1ccc(-c2ccc(N=C=O)cc2)cc1- InChIKey
RQBUVIFBALZGPC-UHFFFAOYSA-N- Molecular formula
- C14H8N2O2
- Average molar mass
- 236.22 g/mol
- Monoisotopic mass
- 236.0585775
Names & identifiers
- Preferred name
- 4,4'-Biphenyldiisocyanate
- IUPAC
- 1-isocyanato-4-(4-isocyanatophenyl)benzene
- English name
- 4,4'-Biphenyldiisocyanate
- Molecular formula
- C14H8N2O2
- Molecular weight
- 236.23
Names & synonyms
4,4'-Biphenyldiisocyanate2761-22-04,4'-diisocyanato-1,1'-biphenylNSC511732SCHEMBL241534DTXSID90182001NSC 511732NSC-5117321,1'-Biphenyl, 4,4'-diisocyanato-
Database identifiers
- CAS
2761-22-0- PubChem CID
- 137706
- DTXSID
DTXSID90182001- Nikkaji
- J633.151C
Properties
Computed structural propertiesFilling in
- XLogP
- 4.3
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 318
Physicochemical properties
- Melting point
- 107.5 · 107.5-109 °C
- Boiling point
- 362.2 · 362.2±35.0 °C(Predicted)
- Density
- 1.15 · 1.15±0.1 g/cm3(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…