2-Cyanatodiphenylmethanediisocyanate

2,4-diisocyanato-1-[(4-isocyanatophenyl)methyl]benzene

CAS: 51944-41-3

Molecular Formula	`C16H9N3O3`
Molecular Weight	291.26 g/mol
LogP	6.2
Topological Polar Surface Area	88.3 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	5
Exact Mass	291.0644
Heavy Atoms	22
Complexity	509.0

Chemical Identifiers

CAS Number	51944-41-3
SMILES	`C1=CC(=CC=C1CC2=C(C=C(C=C2)N=C=O)N=C=O)N=C=O`
InChIKey	`ZXWVOQDKFAZLFW-UHFFFAOYSA-N`

📖 Product Overview

2-Cyanatodiphenylmethanediisocyanate (CAS: 51944-41-3) is a chemical compound with molecular formula C16H9N3O3 and molecular weight 291.26 g/mol. Its IUPAC systematic name is 2,4-diisocyanato-1-[(4-isocyanatophenyl)methyl]benzene. LogP 6.2 Topological Polar Surface Area 88.3 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 6 Rotatable Bonds 5 Exact Mass 291.0644 Heavy Atoms 22 Complexity 509.0 InChI Key: ZXWVOQDKFAZLFW-UHFFFAOYSA-N. SMILES: C1=CC(=CC=C1CC2=C(C=C(C=C2)N=C=O)N=C=O)N=C=O.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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