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3,4,5-Trimethyl-4H-1,2,4-Triazole
[CAS# 16759-45-8]

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Identification
Name 3,4,5-Trimethyl-4H-1,2,4-Triazole
Synonyms 3,4,5-trimethyl-4H-1,2,4-triazole; 3,4,5-Trimethyl-4H-1,2,4-triazole #
Molecular Structure CAS#: 16759-45-8, 3,4,5-Trimethyl-4H-1,2,4-Triazole
Molecular Formula C5H9N3
Molecular Weight 111.15
CAS Registry Number 16759-45-8
SMILES n1nc(n(c1C)C)C
InChI 1S/C5H9N3/c1-4-6-7-5(2)8(4)3/h1-3H3
InChIKey LPZFPHRTKOOKLX-UHFFFAOYSA-N
Properties
Density 1.092g/cm3 (Cal.)
Boiling point 235.177°C at 760 mmHg (Cal.)
Flash point 96.032°C (Cal.)
Refractive index 1.553 (Cal.)
References
(1) A. D. Beitelman, N. A. Sieracki, M. Zeller and G. M. Ferrence. 3,4,5-Trimethyl-1,2,4-triazole trihydrate, Acta Cryst. (2007). E63, o2739-o2741 
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