2-(3-Chloro-4-isobutylphenyl)propionic acid

Base Information

• Chemical Name: 2-(3-Chloro-4-isobutylphenyl)propionic acid
• CAS No.: 58880-41-4
• Molecular Formula: C13H17ClO2
• Molecular Weight: 240.7259
• DSSTox Substance ID: DTXSID70974380
• Nikkaji Number: J71.046F
• Mol file: 58880-41-4.mol

Synonyms:TAI 255;58880-41-4;2-(3-Chloro-4-isobutylphenyl)propionic acid;Propionic acid, 2-(3-chloro-4-isobutylphenyl)-;Benzeneacetic acid, 3-chloro-alpha-methyl-4-(2-methylpropyl)-;2-[3-chloro-4-(2-methylpropyl)phenyl]propanoic acid;DTXSID70974380;TAI-255;LS-124560

Chemical Property of 2-(3-Chloro-4-isobutylphenyl)propionic acid

Chemical Property:

• Vapor Pressure: 2.91E-05mmHg at 25°C
• Boiling Point: 342.3°Cat760mmHg
• Flash Point: 160.8°C
• PSA: 37.30000
• Density: 1.133g/cm³
• LogP: 3.72660
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 240.0917075
• Heavy Atom Count: 16
• Complexity: 240

Purity/Quality:

99% ^*data from raw suppliers

2-(3-CHLORO-4-ISOBUTYLPHENYL)PROPIONIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC1=C(C=C(C=C1)C(C)C(=O)O)Cl