5-Methyl-2-(4-trifluoromethylphenyl)benzoic acid

Base Information

• Chemical Name: 5-Methyl-2-(4-trifluoromethylphenyl)benzoic acid
• CAS No.: 537713-19-2
• Molecular Formula: C₁₅H₁₁F₃O₂
• Molecular Weight: 280.246
• DSSTox Substance ID: DTXSID00594979
• Wikidata: Q82489909
• Mol file: 537713-19-2.mol

Synonyms:537713-19-2;5-METHYL-2-(4-TRIFLUOROMETHYLPHENYL)BENZOIC ACID;SCHEMBL6491531;DTXSID00594979;VYCHWYJJKCWLME-UHFFFAOYSA-N;MFCD18321780;AKOS017552479;5-methyl-2-[4-(trifluoromethyl)phenyl]benzoic acid;A1-47379;5-Methyl-2-(4-trifluoromethylphenyl)benzoic acid, 95%;4-Methyl-4'-(trifluoromethyl)-[1,1'-biphenyl]-2-carboxylic acid;4-Methyl-4'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxylic acid

Chemical Property of 5-Methyl-2-(4-trifluoromethylphenyl)benzoic acid

Chemical Property:

• Boiling Point: 346.6±37.0 °C(Predicted)
• PSA: 37.30000
• Density: 1.291±0.06 g/cm3(Predicted)
• LogP: 4.37900
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 280.07111408
• Heavy Atom Count: 20
• Complexity: 346

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)C2=CC=C(C=C2)C(F)(F)F)C(=O)O