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

Base Information

• Chemical Name: 5-(4-Chlorophenyl)isoxazole-3-propionic acid
• CAS No.: 870704-00-0
• Molecular Formula: C12H10ClNO3
• Molecular Weight: 251.668
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID60584694
• Wikidata: Q82476386
• Mol file: 870704-00-0.mol

Synonyms:870704-00-0;5-(4-Chlorophenyl)isoxazole-3-propionic acid;3-[5-(4-Chlorophenyl)-1,2-oxazol-3-yl]propanoic acid;3-(5-(4-Chlorophenyl)isoxazol-3-yl)propanoic acid;SCHEMBL20507192;DTXSID60584694;MFCD08276789;5-(4-Chlorophenyl)isoxazole-3-propionic;CS-0365685;5-(4-Chlorophenyl)-isoxazol-3-ylpropionic acid;3-(5-(4-Chlorophenyl)isoxazol-3-yl)propanoicacid;5-(4-Chlorophenyl)isoxazole-3-propionic acid, 97%

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

Chemical Property:

• Vapor Pressure: 1.05E-08mmHg at 25°C
• Melting Point: 159-163 °C
• Boiling Point: 445.1°C at 760 mmHg
• PKA: 4.24±0.10(Predicted)
• Flash Point: 223°C
• PSA: 63.33000
• Density: 1.348g/cm³
• LogP: 3.01220
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 251.0349209
• Heavy Atom Count: 17
• Complexity: 267

Purity/Quality:

98%Min ^*data from raw suppliers

5-(4-Chlorophenyl)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)Cl