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Basic Information
CAS No.: 4812-40-2
Name: 1-(2-Hydroxyethyl)-2-hydroxymethyl-5-nitroimidazole
Molecular Structure:
Molecular Structure of 4812-40-2 (1-(2-Hydroxyethyl)-2-hydroxymethyl-5-nitroimidazole)
Formula: C6H9 N3 O4
Molecular Weight: 187.155
Synonyms: Imidazole-1-ethanol,2-(hydroxymethyl)-5-nitro- (7CI,8CI);1-(2-Hydroxyethyl)-2-(hydroxymethyl)-5-nitroimidazole; Hydroxymetronidazole
Density: 1.61g/cm3
Melting Point: 118-121°C
Boiling Point: 475.2°Cat760mmHg
Flash Point: 241.2°C
Safety: Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
PSA: 104.10000
LogP: -0.20090
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Chemistry

Product Name: 1-(2-Hydroxyethyl)-2-hydroxymethyl-5-nitroimidazole (CAS NO.4812-40-2)


Molecular Formula: C6H9N3O4
Molecular Weight: 187.15g/mol
Mol File: 4812-40-2.mol
Boiling point: 475.2 °C at 760 mmHg
Storage Temperature:
Flash Point: 241.2 °C
Density: 1.61 g/cm3
Surface Tension: 75.2 dyne/cm
Enthalpy of Vaporization: 77.82 kJ/mol
Vapour Pressure: 7.73E-10 mmHg at 25°C
XLogP3-AA: -1.3
H-Bond Donor: 2
H-Bond Acceptor: 5
Rotatable Bond Count： 3
Topological Polar Surface Area： 101
Heavy Atom Count: 13
Complexity: 183
Covalently-Bonded Unit Count: 1

Toxicity Data With Reference

1.    

mmo-sat 500 µg/L

     AMACCQ    Antimicrobial Agents and Chemotherapy. 10 (1976),476.
2.    

mma-sat 100 µg/plate

     CMMUAO    Chemical Mutagens. Principles and Methods for Their Detection 4 (1976),171.
3.    

mmo-klp 10 µmol/L/20H

     MUREAV    Mutation Research. 66 (1979),207.

Safety Profile

Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.

Specification

 1-(2-Hydroxyethyl)-2-hydroxymethyl-5-nitroimidazole ,its CAS NO. is 4812-40-2,the synonyms is 2-Hydroxymethyl-5-nitro-imidazole-1-ethano ; Hydroxy metronidazole ; Metronidazole-oh ; 1-(2-Hydroxyethyl)-2-hydroxymethyl-5-nitroimidazole, Hydroxymetronidazole, Mnzoh ; 4-Hydroxy-2-methyl-5-nitro-1H-imidazole-1-ethanol .