4-(5-Amino-1H-tetrazol-1-yl)benzoic acid
[CAS# 654646-61-4]

Identification

• Name: 4-(5-Amino-1H-tetrazol-1-yl)benzoic acid
• Synonyms: 5-AMINO-1-(4-CARBOXYPHENYL)-1H-TETRAZOLE
• Molecular Formula: C₈H₇N₅O₂
• Molecular Weight: 205.17
• CAS Registry Number: 654646-61-4
• SMILES: C1=CC(=CC=C1C(=O)O)N2C(=NN=N2)N
• InChI: 1S/C8H7N5O2/c9-8-10-11-12-13(8)6-3-1-5(2-4-6)7(14)15/h1-4H,(H,14,15)(H2,9,10,12)
• InChIKey: UBTFMULKZAYSFE-UHFFFAOYSA-N

Properties

• Density: 1.7±0.1g/cm³ (Cal.)
• Boiling point: 501.4±52.0°C at 760 mmHg (Cal.)
• Flash point: 257.0±30.7°C (Cal.)
• Refractive index: 1.789 (Cal.)