Methylenebis(4-Phenyl Isocyanate)
[CAS# 97568-33-7]

Identification

• Name: Methylenebis(4-Phenyl Isocyanate)
• Synonyms: 1-Isocyanato-4-(4-Isocyanatobenzyl)Benzene; Inchi=1/C15h10n2o2/C18-10-16-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)17-11-19/H1-8H,9H; Methylene Diphenyl Diisocyanate And Polymeric Methylene Diphenyl Diisocyanate
• Molecular Formula: C₁₅H₁₀N₂O₂
• Molecular Weight: 250.26
• CAS Registry Number: 97568-33-7 (65916-89-4)
• SMILES: O=C=NC2=CC=C(CC1=CC=C(C=C1)N=C=O)C=C2
• InChI: 1S/C15H10N2O2/c18-10-16-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)17-11-19/h1-8H,9H2
• InChIKey: UPMLOUAZCHDJJD-UHFFFAOYSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Melting point: 41°C (Expl.)
• Boiling point: 373.4±35.0°C at 760 mmHg (Cal.)
• Flash point: 154.0±31.3°C (Cal.)
• solubility: 0.2%

Safety Data

• Safety Code: S23;S36/37;S45
• Risk Code: R20;R36/37/38;R40;R42/43;R48/20
• Hazard Symbol: X
• Transport Information: UN2811
• Safety Description: HARMFUL / IRRITANT

References

• (1): János Bozi and Marianne Blazsó. Catalytic modification of pyrolysis products of nitrogen-containing polymers over Y zeolites, Green Chem., 2009, 11, 1638.