Methyl 2,6-Diisocyanatohexanoate
[CAS# 4460-02-0]

Identification

• Name: Methyl 2,6-Diisocyanatohexanoate
• Synonyms: 2,6-Diisocyanatohexanoic Acid Methyl Ester
• Molecular Formula: C₉H₁₂N₂O₄
• Molecular Weight: 212.20
• CAS Registry Number: 4460-02-0
• EINECS: 224-712-8
• SMILES: O=C=NC(C(=O)OC)CCCCN=C=O
• InChI: 1S/C9H12N2O4/c1-15-9(14)8(11-7-13)4-2-3-5-10-6-12/h8H,2-5H2,1H3
• InChIKey: AYLRODJJLADBOB-UHFFFAOYSA-N

Properties

• Density: 1.151g/cm³ (Cal.)
• Boiling point: 288.606°C at 760 mmHg (Cal.)
• Flash point: 122.14°C (Cal.)

References

• (1): Masahiro Suzuki, Yasushi Nakajima, Mariko Yumoto, Mutsumi Kimura, Hirofusa Shirai and Kenji Hanabusa. In situ organogelation at room temperature: direct synthesis of gelators in organic solvents, Org. Biomol. Chem., 2004, 2, 1155.