Thiocyanic acid, 3-bromoallyl ester

Base Information

• Chemical Name: Thiocyanic acid, 3-bromoallyl ester
• CAS No.: 102367-27-1
• Molecular Formula: C4H4 Br N S
• Molecular Weight: 0
• Wikidata: Q76324517
• Mol file: 102367-27-1.mol

Synonyms:Thiocyanic acid, 3-bromoallyl ester;3-Bromoallylthiocyanate;Thiocyanic acid, 3-bromo-2-propenyl ester;102367-27-1;LS-152635

Chemical Property of Thiocyanic acid, 3-bromoallyl ester

Chemical Property:

• Vapor Pressure: 0.033mmHg at 25°C
• Boiling Point: 243°Cat760mmHg
• Flash Point: 100.7°C
• PSA: 49.09000
• Density: 1.637g/cm³
• LogP: 2.10928
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 176.92478
• Heavy Atom Count: 7
• Complexity: 102

Purity/Quality:

99%min ^*data from raw suppliers

(E)-1-BROMO-3-THIOCYANATO-PROP-1-ENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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