Basic information
- CAS
1014-98-8- Standard SMILES
O=C=NCc1ccc(CN=C=O)cc1- InChIKey
OHLKMGYGBHFODF-UHFFFAOYSA-N- Molecular formula
- C10H8N2O2
- Average molar mass
- 188.18 g/mol
- Monoisotopic mass
- 188.0585775
Names & identifiers
- Preferred name
- p-Xylylene diisocyanate
- IUPAC
- 1,4-bis(isocyanatomethyl)benzene
- English name
- 1,4-Bis-(isocyanatomethyl)-benzene
- Molecular formula
- C10H8N2O2
- Molecular weight
- 188.18
Names & synonyms
ISOCYANIC ACID, p-XYLYLENE ESTER1014-98-8p-xylylene diisocyanateDTXSID60143907RefChem:1094249DTXCID30663981,4-xylylene diisocyanatep-Xylylene isocyanate1,4-bis(isocyanatomethyl)benzeneSCHEMBL21089NS00023060p-xylene diisocyanate
Show more names
1,4-Bis-(isocyanatomethyl)-benzeneBenzene, 1,4-bis(isocyanatomethyl)-
Database identifiers
- CAS
1014-98-8- PubChem CID
- 13907
- DTXSID
DTXSID60143907- EC Number
- 600-219-7
- Nikkaji
- J68.607G
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Melting point
- 45 · 45-46 °C
- Boiling point
- 320.64 °C · 320.64°C (rough estimate)
- Density
- 1.3025 · 1.3025 (rough estimate)
- refractive index
- 1.58 · 1.5800 (estimate)
- CAS DataBase Reference
- 1014 · 1014-98-8
Related reactions
8 records
Compound notes
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