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Home >> Chemical Listing >> Page 2847 >> 3-(1H-1,2,4-Triazol-5-yl)benzoic acid

3-(1H-1,2,4-Triazol-5-yl)benzoic acid
[CAS# 876715-37-6]

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Identification
Name 3-(1H-1,2,4-Triazol-5-yl)benzoic acid
Synonyms 3-(1H-1,2,4-triazol-3-yl)benzoic acid; 3-(1H-1,2,4-triazol-5-yl)benzoic acid; 3-(2H-[1,2,4]Triazol-3-yl)-benzoic acid
Molecular Structure CAS#: 876715-37-6, 3-(1H-1,2,4-Triazol-5-yl)benzoic acid
Molecular Formula C9H7N3O2
Molecular Weight 189.17
CAS Registry Number 876715-37-6
SMILES O=C(O)c1cccc(c1)c2ncnn2
InChI 1S/C9H7N3O2/c13-9(14)7-3-1-2-6(4-7)8-10-5-11-12-8/h1-5H,(H,13,14)(H,10,11,12)
InChIKey SCWSKIDSSDPELO-UHFFFAOYSA-N
Properties
Density 1.433g/cm3 (Cal.)
Boiling point 494.556°C at 760 mmHg (Cal.)
Flash point 252.899°C (Cal.)
Refractive index 1.654 (Cal.)
Safety Data
Safety Description IRRITANT
SDS Available
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