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3-(4H-1,2,4-Triazol-4-Yl)Benzoic Acid
[CAS# 335255-80-6]

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Identification
Name 3-(4H-1,2,4-Triazol-4-Yl)Benzoic Acid
Synonyms 3-(1,2,4-triazol-4-yl)benzoic acid; 3-(4H-1,2,4-triazol-4-yl)benzoic acid; 3-[1,2,4]Triazol-4-yl-benzoic acid
Molecular Structure CAS#: 335255-80-6, 3-(4H-1,2,4-Triazol-4-Yl)Benzoic Acid
Molecular Formula C9H7N3O2
Molecular Weight 189.17
CAS Registry Number 335255-80-6
SMILES O=C(O)c1cccc(c1)n2cnnc2
InChI 1S/C9H7N3O2/c13-9(14)7-2-1-3-8(4-7)12-5-10-11-6-12/h1-6H,(H,13,14)
InChIKey CFDCJKUCKNZXBW-UHFFFAOYSA-N
Properties
Density 1.399g/cm3 (Cal.)
Boiling point 449.856°C at 760 mmHg (Cal.)
Flash point 225.865°C (Cal.)
Refractive index 1.673 (Cal.)
Safety Data
Safety Description IRRITANT
SDS Available
Market Analysis Reports
List of Reports Available for 3-(4H-1,2,4-Triazol-4-Yl)Benzoic Acid
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