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Home >> Chemical Listing >> Page 2173 >> 4-(1H-Benzimidazol-2-yl)benzoic acid

4-(1H-Benzimidazol-2-yl)benzoic acid
[CAS# 66631-29-6]

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Identification
Name 4-(1H-Benzimidazol-2-yl)benzoic acid
Synonyms 4-(1 H -Benzoimidazol-2-yl)-benzoic acid; 4-(1H-1,3-benzodiazol-2-yl)benzoic acid; 4-(1H-Benzoimidazol-2-yl)-benzoic acid
Molecular Structure CAS#: 66631-29-6, 4-(1H-Benzimidazol-2-yl)benzoic acid
Molecular Formula C14H10N2O2
Molecular Weight 238.24
CAS Registry Number 66631-29-6
SMILES C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)C(=O)O
InChI 1S/C14H10N2O2/c17-14(18)10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13/h1-8H,(H,15,16)(H,17,18)
InChIKey UMZBLZRCSSUXQR-UHFFFAOYSA-N
Properties
Density 1.4±0.1g/cm3 (Cal.)
Boiling point 508.5±52.0°C at 760 mmHg (Cal.)
Flash point 261.4±30.7°C (Cal.)
Safety Data
SDS Available
References
(1) F.-F. Jian, F.-L. Bei, X.-J. Yang, L.-D. Lu, X. Wang, I.A. Razak, S. Shanmuga Sundara Raj, H.-K. Fun. 4-(1H-Benzimidazol-3-ium-2-yl)benzoate dihydrate, Acta Cryst C 2001 Volume 57 Part 2 Page 176-177
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