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3-(2H-Tetrazol-5-Yl)-Benzoic Acid
[CAS# 73096-39-6]

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Identification
Name 3-(2H-Tetrazol-5-Yl)-Benzoic Acid
Synonyms 3-(2H-1,2,3,4-Tetrazol-5-Yl)Benzoic Acid; A3277/0139431; 3-(2H-Tetrazol-5-Yl)-Benzoic Acid
Molecular Structure CAS#: 73096-39-6, 3-(2H-Tetrazol-5-Yl)-Benzoic Acid
Molecular Formula C8H6N4O2
Molecular Weight 190.16
CAS Registry Number 73096-39-6
SMILES C2=C(C1=N[NH]N=N1)C=CC=C2C(O)=O
InChI 1S/C8H6N4O2/c13-8(14)6-3-1-2-5(4-6)7-9-11-12-10-7/h1-4H,(H,13,14)(H,9,10,11,12)
InChIKey MIERACSHCALJOM-UHFFFAOYSA-N
Properties
Density 1.5±0.1g/cm3 (Cal.)
Melting point 284-286°C (Expl.)
Boiling point 496.4±47.0°C at 760 mmHg (Cal.)
Flash point 254.0±29.3°C (Cal.)
Safety Data
Safety Code S26;S37  Details
Risk Code R36/37/38  Details
Hazard Symbol symbol  X  Details
Safety Description TOXIC
WARNING: Irritates lungs, eyes, skin
SDS Available
References
(1) Lin Cheng, Ya-Wen Zhang, Jian-Quan Wang and Gong Zhang . 3-(1H-Tetrazol-5-yl)benzoic acid , Acta Cryst (2009). E65, o89  
Market Analysis Reports
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