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1H-Imidazole
[CAS# 17339-44-5]

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Identification
Name 1H-Imidazole
Synonyms 1,3-diaza-2,4-cyclopentadiene; 1,3-Diaza-2,4-cyclopentadiene, high purity; 1,3-Diazacyclopenta-2,4-diene
Molecular Structure CAS#: 17339-44-5, 1H-Imidazole
Molecular Formula C3H4N2
Molecular Weight 68.08
CAS Registry Number 17339-44-5
SMILES C1=CN=CN1
InChI 1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)
InChIKey RAXXELZNTBOGNW-UHFFFAOYSA-N
Properties
Density 1.1±0.1g/cm3 (Cal.)
1.03 (Expl.)
Melting point 92°C (Expl.)
Boiling point 165-168°C (Expl.)
257.0±9.0°C at 760 mmHg (Cal.)
Flash point 145°C (Expl.)
145°C (Cal.)
Refractive index 1.528 (Cal.)
Safety Data
Safety Code S26;S36/37/39;S45;S60  Details
Risk Code R22;R34  Details
Hazard Symbol symbol  symbol  X;C  Details
Transport Information UN2923
Safety Description DANGER: CORROSIVE, burns skin and eyes
Corrosive/Harmful/Teratogen
WARNING: Irritates lungs, eyes, skin
Safety glasses, gloves, adequate ventilation.
References
(1) Mohammad Movassaghi, Dustin S. Siegel and Sunkyu Han. Total synthesis of all (−)-agelastatin alkaloids, Chem. Sci., 2010, 1, 561.
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