2-[4-[(5-Butyltetrazol-1-Yl)Methyl]Phenyl]Benzoic Acid
[CAS# 150871-48-0]

Identification

• Name: 2-[4-[(5-Butyltetrazol-1-Yl)Methyl]Phenyl]Benzoic Acid
• Synonyms: 2-[4-[(5-Butyl-1-Tetrazolyl)Methyl]Phenyl]Benzoic Acid; 2-[4-[(5-Butyl-1,2,3,4-Tetrazol-1-Yl)Methyl]Phenyl]Benzoic Acid; 1-(4-(2'-Carboxyphenyl)Benzyl)-5-Butyltetrazole
• Molecular Formula: C₁₉H₂₀N₄O₂
• Molecular Weight: 336.39
• CAS Registry Number: 150871-48-0
• SMILES: C1=C(C(=CC=C1)C2=CC=C(C=C2)C[N]3N=NN=C3CCCC)C(=O)O
• InChI: 1S/C19H20N4O2/c1-2-3-8-18-20-21-22-23(18)13-14-9-11-15(12-10-14)16-6-4-5-7-17(16)19(24)25/h4-7,9-12H,2-3,8,13H2,1H3,(H,24,25)
• InChIKey: XGAJCHJIFNVEPB-UHFFFAOYSA-N

Properties

• Density: 1.239g/cm³ (Cal.)
• Boiling point: 577.362°C at 760 mmHg (Cal.)
• Flash point: 302.978°C (Cal.)