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Metronidazole
[CAS# 99616-64-5]

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Identification
Name Metronidazole
Synonyms 2-(2-Methyl-5-Nitro-Imidazol-1-Yl)Ethanol; 2-(2-Methyl-5-Nitro-1-Imidazolyl)Ethanol; 1-(Beta-Ethylol)-2-Methyl-5-Nitro-3-Azapyrrole
Molecular Structure CAS#: 99616-64-5, Metronidazole
Molecular Formula C6H9N3O3
Molecular Weight 171.16
CAS Registry Number 99616-64-5
SMILES C1=C([N](C(=N1)C)CCO)[N+](=O)[O-]
InChI 1S/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3
InChIKey VAOCPAMSLUNLGC-UHFFFAOYSA-N
Properties
Density 1.5±0.1g/cm3 (Cal.)
Melting point 161°C (Expl.)
Boiling point 405.4±25.0°C at 760 mmHg (Cal.)
Flash point 199.0±23.2°C (Cal.)
Safety Data
Safety Description Safety glasses, adequate ventilation.
References
(1) Antonio J. Mota, Gonzalo Prados-Joya, David Arráez-Román, Manuel Sánchez-Polo, Rafael Robles, Ma Ángeles Ferro-García and José Rivera-Utrilla. A convenient antibiotic indicator in the ozone treatment of wastewaters. An experimental and theoretical study, New J. Chem., 2010, 34, 2205.
Market Analysis Reports
List of Reports Available for Metronidazole
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