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Home >> Chemical Listing >> Page 2105 >> 3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzoic acid

3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzoic acid
[CAS# 641571-13-3]

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Identification
Name 3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzoic acid
Synonyms 3-(4-Methylimidazol-1-yl)-5-(trifluoromethyl)benzoic acid; BENZOIC ACID,3-(4-METHYL-1H-IMIDAZOL-1-YL)-5-(TRIFLUOROMETHYL)-
Molecular Structure CAS#: 641571-13-3, 3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzoic acid
Molecular Formula C12H9F3N2O2
Molecular Weight 270.21
CAS Registry Number 641571-13-3
SMILES Cc1cn(cn1)c2cc(cc(c2)C(F)(F)F)C(=O)O
InChI 1S/C12H9F3N2O2/c1-7-5-17(6-16-7)10-3-8(11(18)19)2-9(4-10)12(13,14)15/h2-6H,1H3,(H,18,19)
InChIKey ZQOCDOFDUXPNGM-UHFFFAOYSA-N
Properties
Density 1.407g/cm3 (Cal.)
Boiling point 423.524°C at 760 mmHg (Cal.)
Flash point 209.94°C (Cal.)
Refractive index 1.552 (Cal.)
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