3'-Bromoisosafrole

Base Information

• Chemical Name: 3'-Bromoisosafrole
• CAS No.: 42461-89-2
• Molecular Formula: C10H9BrO2
• Molecular Weight: 241.10
• UNII: 7PT7CXY28D
• Nikkaji Number: J35.616F,J3.523.445D
• Wikidata: Q27894411
• Mol file: 42461-89-2.mol

Synonyms:3'-Bromoisosafrole;BRN 1310620;7PT7CXY28D;1,3-BENZODIOXOLE, 5-(3-BROMO-1-PROPENYL)-;42461-89-2;Benzene, 1,2-(methylenedioxy)-4-(3-bromo-1-propenyl)-;C10H9BrO2;UNII-7PT7CXY28D;SCHEMBL8152968;67911-75-5;LS-34640;5-(3-Bromo-1-propenyl)-1,3-benzodioxole;J3.523.445D;5-((E)-3-Bromo-1-propenyl)-1,3-benzodioxole;Q27894411;5-(3-BROMO-1-PROPEN-1-YL)-1,3-BENZODIOXOLE;1,3-BENZODIOXOLE, 5-(3-BROMO-1-PROPEN-1-YL)-

Chemical Property of 3'-Bromoisosafrole

Chemical Property:

• Vapor Pressure: 0.00106mmHg at 25°C
• Refractive Index: 1.5220 (estimate)
• Boiling Point: 311°Cat760mmHg
• Flash Point: 143.9°C
• PSA: 18.46000
• Density: 1.557g/cm³
• LogP: 2.82340
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 239.97859
• Heavy Atom Count: 13
• Complexity: 193

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1OC2=C(O1)C=C(C=C2)C=CCBr
• Isomeric SMILES: C1OC2=C(O1)C=C(C=C2)/C=C/CBr