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2-Nitro-1H-Imidazole
[CAS# 36877-68-6]

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Identification
Name 2-Nitro-1H-Imidazole
Synonyms Aids-059761; Zinc01481980; 11A
Molecular Structure CAS#: 36877-68-6, 2-Nitro-1H-Imidazole
Molecular Formula C3H3N3O2
Molecular Weight 113.08
CAS Registry Number 36877-68-6
SMILES C1=CN=C([N+](=O)[O-])[NH]1
InChI 1S/C3H3N3O2/c7-6(8)3-4-1-2-5-3/h1-2H,(H,4,5)
InChIKey YZEUHQHUFTYLPH-UHFFFAOYSA-N
Properties
Density 1.6±0.1g/cm3 (Cal.)
Melting point 279-284°C (Expl.)
Boiling point 373.6±25.0°C at 760 mmHg (Cal.)
Flash point 179.7±23.2°C (Cal.)
Safety Data
Safety Code S26;S36/37;S45  Details
Risk Code R25;R36/37/38  Details
Hazard Symbol symbol  T  Details
Transport Information UN2811
Safety Description TOXIC
References
(1) Philip Prathipati, Ngai Ling Ma* and Thomas H. Keller. Global Bayesian Models for the Prioritization of Antitubercular Agents, J. Chem. Inf. Model., 2008, 48 (12), pp 2362–2370
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