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Home >> Chemical Listing >> Page 655 >> 3-Amino-4-(1H-1,2,4-Triazol-1-Yl)Benzoic Acid

3-Amino-4-(1H-1,2,4-Triazol-1-Yl)Benzoic Acid
[CAS# 167627-00-1]

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Identification
Name 3-Amino-4-(1H-1,2,4-Triazol-1-Yl)Benzoic Acid
Synonyms 3-amino-4-(1H-1,2,4-triazol-1-yl)benzoic acid
Molecular Structure CAS#: 167627-00-1, 3-Amino-4-(1H-1,2,4-Triazol-1-Yl)Benzoic Acid
Molecular Formula C9H8N4O2
Molecular Weight 204.19
CAS Registry Number 167627-00-1
SMILES c1cc(c(cc1C(=O)O)N)n2cncn2
InChI 1S/C9H8N4O2/c10-7-3-6(9(14)15)1-2-8(7)13-5-11-4-12-13/h1-5H,10H2,(H,14,15)
InChIKey CPNOTQAFLGSXAF-UHFFFAOYSA-N
Properties
Density 1.546g/cm3 (Cal.)
Boiling point 497.226°C at 760 mmHg (Cal.)
Flash point 254.513°C (Cal.)
Refractive index 1.728 (Cal.)
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