2-(3-Chloro-5-(trifluoromethyl)phenyl)acetic acid

Base Information

• Chemical Name: 2-(3-Chloro-5-(trifluoromethyl)phenyl)acetic acid
• CAS No.: 886496-99-7
• Molecular Formula: C9H6ClF3O2
• Molecular Weight: 238.59
• Hs Code.: 2916399090
• European Community (EC) Number: 677-233-5
• DSSTox Substance ID: DTXSID60396552
• Wikidata: Q82197322
• Mol file: 886496-99-7.mol

Synonyms:886496-99-7;2-(3-Chloro-5-(trifluoromethyl)phenyl)acetic acid;3-CHLORO-5-(TRIFLUOROMETHYL)PHENYLACETIC ACID;2-[3-chloro-5-(trifluoromethyl)phenyl]acetic Acid;3'-CHLORO-5'-TRIFLUOROMETHYLBENZENEACETIC ACID;SCHEMBL10153376;DTXSID60396552;VEEZRFPBIRDYOE-UHFFFAOYSA-N;CL8774;MFCD04115851;AKOS015890278;AB20631;AS-46101;3-Chloro-5-(trifluoromethyl)phenylaceticacid;CS-0060193;FT-0708552;[3-Chloro-5-(trifluoromethyl)phenyl]acetic acid;EN300-1932014;A861620

Chemical Property of 2-(3-Chloro-5-(trifluoromethyl)phenyl)acetic acid

Chemical Property:

• Melting Point: 125-127℃
• Boiling Point: 271.6±35.0 °C(Predicted)
• PKA: 3.97±0.10(Predicted)
• PSA: 37.30000
• Density: 1.469±0.06 g/cm3(Predicted)
• LogP: 2.98590
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 238.0008416
• Heavy Atom Count: 15
• Complexity: 242

Purity/Quality:

98%min ^*data from raw suppliers

2-(3-Chloro-5-(trifluoromethyl)phenyl)aceticacid 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C=C1C(F)(F)F)Cl)CC(=O)O