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Home >> Chemical Listing >> Page 89 >> 3-(1H-1,2,4-Triazol-1-Yl)-2-Butanone

3-(1H-1,2,4-Triazol-1-Yl)-2-Butanone
[CAS# 106836-80-0]

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Identification
Name 3-(1H-1,2,4-Triazol-1-Yl)-2-Butanone
Synonyms 1-(3-Oxobut-2-yl)-1H-1,2,4-triazole
Molecular Structure CAS#: 106836-80-0, 3-(1H-1,2,4-Triazol-1-Yl)-2-Butanone
Molecular Formula C6H9N3O
Molecular Weight 139.16
CAS Registry Number 106836-80-0
SMILES O=C(C(n1ncnc1)C)C
InChI 1S/C6H9N3O/c1-5(6(2)10)9-4-7-3-8-9/h3-5H,1-2H3
InChIKey LFAGOYHWDZARPP-UHFFFAOYSA-N
Properties
Density 1.198g/cm3 (Cal.)
Melting point 0.5°C (Expl.)
Boiling point 93-95°C (Expl.)
263.273°C at 760 mmHg (Cal.)
Flash point 113.024°C (Cal.)
Refractive index 1.571 (Cal.)
Safety Data
Safety Description IRRITANT
Market Analysis Reports
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