Hexanoic Acid, 2,6-Diisocyanato-, 2-Isocyanatoethyl Ester
[CAS# 97042-86-9]

Identification

• Name: Hexanoic Acid, 2,6-Diisocyanato-, 2-Isocyanatoethyl Ester
• Synonyms: 2,6-Diisocyanatohexanoic Acid 2-Isocyanatoethyl Ester; 2,6-Diisocyanatohexanoic Acid, 2-Isocyanatoethyl Ester
• Molecular Formula: C₁₁H₁₃N₃O₅
• Molecular Weight: 267.24
• CAS Registry Number: 97042-86-9
• EINECS: 274-179-0
• SMILES: O=C=NC(C(OCCN=C=O)=O)CCCCN=C=O
• InChI: 1S/C11H13N3O5/c15-7-12-4-2-1-3-10(14-9-17)11(18)19-6-5-13-8-16/h10H,1-6H2
• InChIKey: GNDOBZLRZOCGAS-UHFFFAOYSA-N

Properties

• Density: 1.217g/cm³ (Cal.)
• Boiling point: 382.878°C at 760 mmHg (Cal.)
• Flash point: 168.12°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.