(S)-(+)-2-Hexyl isocyanate

Base Information

• Chemical Name: (S)-(+)-2-Hexyl isocyanate
• CAS No.: 745783-78-2
• Molecular Formula: C7H13 N O
• Molecular Weight: 127.18
• Hs Code.: 2929109000
• DSSTox Substance ID: DTXSID50426973
• Mol file: 745783-78-2.mol

Synonyms:(S)-(+)-2-HEXYL ISOCYANATE;745783-78-2;(2S)-2-ISOCYANATOHEXANE;SCHEMBL15034704;DTXSID50426973;AKOS025295703

Chemical Property of (S)-(+)-2-Hexyl isocyanate

Chemical Property:

• Vapor Pressure: 3.07mmHg at 25°C
• Refractive Index: 1.4180
• Boiling Point: 155.2°C at 760 mmHg
• Flash Point: 46.4°C
• PSA: 29.43000
• Density: 0.87g/cm³
• LogP: 1.90090
• Sensitive.: Moisture Sensitive
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 127.099714038
• Heavy Atom Count: 9
• Complexity: 106

Purity/Quality:

99% ^*data from raw suppliers

(S)-(+)-2-HEXYL ISOCYANATE 95.00% ^*data from reagent suppliers

Safty Information:

• Statements: 20/22-36/37/38-42
• Safety Statements: 23-26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(C)N=C=O
• Isomeric SMILES: CCCC[C@H](C)N=C=O