Methylene isocyanate
Basic information
- CAS
4747-90-4- Standard SMILES
O=C=NCN=C=O- InChIKey
KIQKWYUGPPFMBV-UHFFFAOYSA-N- Molecular formula
- C3H2N2O2
- Average molar mass
- 98.06 g/mol
- Monoisotopic mass
- 98.01162731
Names & identifiers
- Preferred name
- Methylene isocyanate
- IUPAC
- diisocyanatomethane
- English name
- methylene diisocyanate
- Molecular formula
- C3H2N2O2
- Molecular weight
- 98.06
Names & synonyms
Methylene diisocyanateMethylene isocyanate4747-90-4DiisocynatomethaneMethane, diisocyanato-3K6QR7JP6VDTXSID1074836RefChem:158184DTXCID7040570diisocyanatomethanemethylenediisocyanateUNII-3K6QR7JP6V
Show more names
METHYLENEISOCYANATE
SCHEMBL21631SCHEMBL2481104SCHEMBL10435194AKOS006273880F2191-0306
Database identifiers
- CAS
4747-90-4- PubChem CID
- 114686
- DTXSID
DTXSID1074836- UNII
- 3K6QR7JP6V
- Nikkaji
- J768.226C
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 114
Physicochemical properties
- Boiling point
- 183.51 °C · 183.51°C (rough estimate)
- Density
- 1.5582 · 1.5582 (rough estimate)
- refractive index
- 1.47 · 1.4700 (estimate)
- FDA UNII
- 3 K6QR7JP6V · 3K6QR7JP6V
- EPA Substance Registry System
- Methylene isocyanate (4747-90-4)
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Related reactions
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Compound notes
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