2,3-Dibromoallyl isothiocyanate

Base Information

• Chemical Name: 2,3-Dibromoallyl isothiocyanate
• CAS No.: 101670-66-0
• Molecular Formula: C4H3 Br2 N S
• Molecular Weight: 256.9463
• Nikkaji Number: J94.704K

Synonyms:2,3-Dibromoallyl isothiocyanate;ISOTHIOCYANIC ACID, 2,3-DIBROMOALLYL ESTER;101670-66-0;LS-86410

Chemical Property of 2,3-Dibromoallyl isothiocyanate

Chemical Property:

• Vapor Pressure: 0.0156mmHg at 25°C
• Boiling Point: 264.7°Cat760mmHg
• Flash Point: 113.9°C
• Density: 1.9g/cm³
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 256.83325
• Heavy Atom Count: 8
• Complexity: 137

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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