(2-Trifluoromethyl-benzoimidazol-1-yl)-acetic acid

Base Information

• Chemical Name: (2-Trifluoromethyl-benzoimidazol-1-yl)-acetic acid
• CAS No.: 313241-14-4
• Molecular Formula: C10H7 F3 N2 O2
• Molecular Weight: 244.17
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID60350174
• ChEMBL ID: CHEMBL1885104
• Mol file: 313241-14-4.mol

Synonyms:313241-14-4;(2-Trifluoromethyl-benzoimidazol-1-yl)-acetic acid;[2-(trifluoromethyl)-1H-benzimidazol-1-yl]acetic acid;2-[2-(trifluoromethyl)benzimidazol-1-yl]acetic acid;2-(2-(trifluoromethyl)-1H-benzo[d]imidazol-1-yl)acetic acid;[2-(trifluoromethyl)-1h-benzimidazol-1-yl-]acetic acid;2-[2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]acetic acid;MFCD00994711;(2-(trifluoromethyl)-1h-benzimidazol-1-yl)acetic acid;MLS000060877;2-[2-(trifluoromethyl)benzimidazolyl]acetic acid;Bionet2_000435;SCHEMBL4886070;CHEMBL1885104;DTXSID60350174;2-[2-(trifluoromethyl)-1h-1,3-benzimidazol-1-yl]acetic acid;HMS1365D17;HMS2436L16;BBL009874;STK298666;AKOS000116491;SDCCGMLS-0031200.P002;SMR000069742;CS-0206865;FT-0644399;EN300-05868;1R-1544;A820799;AG-670/36820014;SR-01000455464;SR-01000455464-1;Z56913125;2-[2-(trifluoromethyl)-3H-benzimidazol-1-ium-1-yl]acetate;[2-(trifluoromethyl)-1H-benzimidazol-1-yl]acetic acid, AldrichCPR

Chemical Property of (2-Trifluoromethyl-benzoimidazol-1-yl)-acetic acid

Chemical Property:

• Vapor Pressure: 6.42E-06mmHg at 25°C
• Melting Point: 248 °C
• Refractive Index: 1.565
• Boiling Point: 363.4°Cat760mmHg
• PKA: 3.70±0.10(Predicted)
• Flash Point: 173.6°C
• PSA: 55.12000
• Density: 1.51g/cm³
• LogP: 2.13970
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 244.04596196
• Heavy Atom Count: 17
• Complexity: 308

Purity/Quality:

98%min ^*data from raw suppliers

(2-Trifluoromethyl-benzoimidazol-1-yl)-acetic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N=C(N2CC(=O)O)C(F)(F)F