3-Bromoallyl isocyanate

Base Information

• Chemical Name: 3-Bromoallyl isocyanate
• CAS No.: 101652-13-5
• Molecular Formula: C4H4 Br N O
• Molecular Weight: 162.00
• Nikkaji Number: J68.605K
• Mol file: 101652-13-5.mol

Synonyms:3-Bromoallyl isocyanate;ISOCYANIC ACID, 3-BROMOALLYL ESTER;C4H4BrNO;101652-13-5;C4-H4-Br-N-O;LS-84434

Chemical Property of 3-Bromoallyl isocyanate

Chemical Property:

• Vapor Pressure: 2.78mmHg at 25°C
• Refractive Index: 1.5500 (estimate)
• Boiling Point: 157.3°Cat760mmHg
• Flash Point: 48.9°C
• PSA: 29.43000
• Density: 1.45g/cm³
• LogP: 1.23080
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 160.94763
• Heavy Atom Count: 7
• Complexity: 104

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C=CBr)N=C=O
• Isomeric SMILES: C(/C=C/Br)N=C=O