2-methyl-3-(trifluoromethyl)benzoic Acid

Base Information

• Chemical Name: 2-methyl-3-(trifluoromethyl)benzoic Acid
• CAS No.: 62089-35-4
• Molecular Formula: C9H7F3O2
• Molecular Weight: 204.149
• Hs Code.: 2916399090
• European Community (EC) Number: 629-987-1
• DSSTox Substance ID: DTXSID90379595
• Wikidata: Q72491994
• Mol file: 62089-35-4.mol

Synonyms:2-methyl-3-(trifluoromethyl)benzoic Acid;62089-35-4;2-Methyl-3-trifluoromethylbenzoic acid;Benzoic acid, 2-methyl-3-(trifluoromethyl)-;MFCD01631588;3-Carboxy-2-methylbenzotrifluoride;SCHEMBL697951;DTXSID90379595;3-trifluoromethyl-2-methybenzoic acid;3-trifluoromethyl-2-methylbenzoic acid;AKOS015956002;AC-9039;AM84145;CS-W015434;PS-8149;2-methyl-3-trifluoromethyl-benzoic acid;SY017158;2-methyl-3-(trifluoromethyl)-benzoic acid;FT-0612934;EN300-1276363;A833577;J-509947;2-Methyl-3-(trifluoromethyl)benzoic acid, AldrichCPR;4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine?hydrochloride

Chemical Property of 2-methyl-3-(trifluoromethyl)benzoic Acid

Chemical Property:

• Vapor Pressure: 0.00777mmHg at 25°C
• Melting Point: 106-109℃
• Refractive Index: 1.478
• Boiling Point: 256.8 °C at 760 mmHg
• PKA: 3.52±0.10(Predicted)
• Flash Point: 109.1 °C
• PSA: 37.30000
• Density: 1.345 g/cm³
• LogP: 2.71200
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 204.03981395
• Heavy Atom Count: 14
• Complexity: 225

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Methyl-3-(trifluoromethyl)benzoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-36-22
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC=C1C(F)(F)F)C(=O)O