5-(4-Bromophenyl)isoxazole-3-propionic acid

Base Information

• Chemical Name: 5-(4-Bromophenyl)isoxazole-3-propionic acid
• CAS No.: 870703-99-4
• Molecular Formula: C12H10BrNO3
• Molecular Weight: 296.119
• Hs Code.: 2934999090
• European Community (EC) Number: 688-195-4
• DSSTox Substance ID: DTXSID20584695
• Wikidata: Q82476388
• Mol file: 870703-99-4.mol

Synonyms:5-(4-Bromophenyl)isoxazole-3-propionic acid;870703-99-4;3-(5-(4-Bromophenyl)isoxazol-3-yl)propanoic acid;3-[5-(4-Bromophenyl)-1,2-oxazol-3-yl]propanoic acid;SCHEMBL20507145;DTXSID20584695;MFCD08276790;CS-0359562;5-(4-Bromophenyl)isoxazol-3-ylpropionic acid;3-(5-(4-Bromophenyl)isoxazol-3-yl)propanoicacid;5-(4-Bromophenyl)isoxazole-3-propionic acid, 97%

Chemical Property of 5-(4-Bromophenyl)isoxazole-3-propionic acid

Chemical Property:

• Vapor Pressure: 2.03E-09mmHg at 25°C
• Melting Point: 169-173 °C
• Boiling Point: 464.3°C at 760 mmHg
• Flash Point: 234.6°C
• PSA: 63.33000
• Density: 1.551g/cm³
• LogP: 3.12130
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 294.98441
• Heavy Atom Count: 17
• Complexity: 267

Purity/Quality:

97% ^*data from raw suppliers

5-(4-Bromophenyl)isoxazole-3-propionic acid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=CC(=NO2)CCC(=O)O)Br