2-Isocyanatoethyl 2,6-diisocyanatohexanoate

Base Information

• Chemical Name: 2-Isocyanatoethyl 2,6-diisocyanatohexanoate
• CAS No.: 69878-18-8
• Deprecated CAS: 82796-35-8,97042-86-9
• Molecular Formula: C11H13N3O5
• Molecular Weight: 267.24
• European Community (EC) Number: 274-179-0
• DSSTox Substance ID: DTXSID10887682
• Nikkaji Number: J25.583A
• Mol file: 69878-18-8.mol

Synonyms:69878-18-8;2-Isocyanatoethyl 2,6-diisocyanatohexanoate;Hexanoic acid,2,6-diisocyanato-, 2-isocyanatoethyl ester;Hexanoic acid, 2,6-diisocyanato-, 2-isocyanatoethyl ester;2,6-DIISOCYANATOHEXANOIC ACID 2-ISOCYANATOETHYL ESTER;EINECS 274-179-0;2,6-Diisocyanatohexanoic acid, 2-isocyanatoethyl ester;SCHEMBL133255;DTXSID10887682;MFCD06797097;AKOS015855528;FT-0699967;2,6-Diisocyanatohexanoic acid 2-isocyanathoethyl ester, 80%

Chemical Property of 2-Isocyanatoethyl 2,6-diisocyanatohexanoate

Chemical Property:

• Vapor Pressure: 4.58E-06mmHg at 25°C
• Refractive Index: 1.524
• Boiling Point: 382.9 °C at 760 mmHg
• Flash Point: 168.1 °C
• PSA: 114.59000
• Density: 1.21 g/cm³
• LogP: 0.07590
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 11
• Exact Mass: 267.08552052
• Heavy Atom Count: 19
• Complexity: 418

Purity/Quality:

99.9% ^*data from raw suppliers

2-Isocyanatoethyl2,6-diisocyanatohexanoate 85% ^*data from reagent suppliers

Safty Information:

• Statements: 20/22
• Safety Statements: 23-26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCN=C=O)CC(C(=O)OCCN=C=O)N=C=O