3-{4-[(4-Bromophenyl)sulfanyl]-3-nitrophenyl}prop-2-enoic acid

Base Information

• Chemical Name: 3-{4-[(4-Bromophenyl)sulfanyl]-3-nitrophenyl}prop-2-enoic acid
• CAS No.: 175278-55-4
• Molecular Formula: C15H10BrNO4S
• Molecular Weight: 380.21
• DSSTox Substance ID: DTXSID20384298
• Mol file: 175278-55-4.mol

Synonyms:175278-55-4;3-[4-(4-bromophenyl)sulfanyl-3-nitrophenyl]prop-2-enoic acid;3-{4-[(4-bromophenyl)sulfanyl]-3-nitrophenyl}prop-2-enoic acid;3-{4-[(4-bromophenyl)thio]-3-nitrophenyl}acrylic acid;DTXSID20384298;FT-0614842

Chemical Property of 3-{4-[(4-Bromophenyl)sulfanyl]-3-nitrophenyl}prop-2-enoic acid

Chemical Property:

• Vapor Pressure: 1.64E-12mmHg at 25°C
• Refractive Index: 1.716
• Boiling Point: 540.4 °C at 760 mmHg
• Flash Point: 280.6 °C
• PSA: 108.42000
• Density: 1.68 g/cm³
• LogP: 5.12950
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 378.95139
• Heavy Atom Count: 22
• Complexity: 432

Purity/Quality:

98%min ^*data from raw suppliers

3-(4-[(4-BROMOPHENYL)THIO]-3-NITROPHENYL)ACRYLIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1SC2=C(C=C(C=C2)C=CC(=O)O)[N+](=O)[O-])Br