Product Name

  • Name

    alpha-(3-(1,1-Dimethylethyl)-2-hydroxyphenyl)-1-methyl-5-nitro-1H-imidazole-2-methanol

  • EINECS
  • CAS No. 91219-87-3
  • Density 1.3g/cm3
  • Solubility
  • Melting Point
  • Formula C15H19N3O4
  • Boiling Point 510.4°Cat760mmHg
  • Molecular Weight 305.37
  • Flash Point 262.5°C
  • Transport Information
  • Appearance
  • Safety Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 91219-87-3 (alpha-(3-(1,1-Dimethylethyl)-2-hydroxyphenyl)-1-methyl-5-nitro-1H-imidazole-2-methanol)
  • Hazard Symbols
  • Synonyms ALPHA-(3-(1,1-DIMETHYLETHYL)-2-HYDROXYPHENYL)-1-METHYL-5-NITRO-1H-IMIDAZOLE-2-METHANOL;
  • PSA 104.10000
  • LogP 2.93630

alpha-(3-(1,1-Dimethylethyl)-2-hydroxyphenyl)-1-methyl-5-nitro-1H-imidazole-2-methanol Chemical Properties

Empirical Formula of alpha-(3-(1,1-Dimethylethyl)-2-hydroxyphenyl)-1-methyl-5-nitro-1H-imidazole-2-methanol (CAS NO.91219-87-3): C15H19N3O4
Molecular Weight: 305.3291 g/mol
Index of Refraction: 1.605
Density: 1.3 g/cm3
Flash Point: 262.5 °C
Enthalpy of Vaporization: 82.25 kJ/mol
Boiling Point: 510.4 °C at 760 mmHg
Vapour Pressure: 3.05E-11 mmHg at 25 °C
Structure of alpha-(3-(1,1-Dimethylethyl)-2-hydroxyphenyl)-1-methyl-5-nitro-1H-imidazole-2-methanol (CAS NO.91219-87-3):
                    
IUPAC Name: 2-Tert-butyl-6-[hydroxy-(1-methyl-5-nitroimidazol-2-yl)methyl]phenol
Canonical SMILES: CC(C)(C)C1=CC=CC(=C1O)C(C2=NC=C(N2C)[N+](=O)[O-])O
InChI: InChI=1S/C15H19N3O4/c1-15(2,3)10-7-5-6-9(12(10)19)13(20)14-16-8-11(17(14)4)18(21)22/h5-8,13,19-20H,1-4H3
InChIKey: MCNHVAPDUVFZDZ-UHFFFAOYSA-N

alpha-(3-(1,1-Dimethylethyl)-2-hydroxyphenyl)-1-methyl-5-nitro-1H-imidazole-2-methanol Toxicity Data With Reference

1.    

mic-sat 1 mg/plate

     JCHEEU    Journal of Chemotherapy. 5 (1993),168.

alpha-(3-(1,1-Dimethylethyl)-2-hydroxyphenyl)-1-methyl-5-nitro-1H-imidazole-2-methanol Safety Profile

Mutation data reported. When heated to decomposition alpha-(3-(1,1-Dimethylethyl)-2-hydroxyphenyl)-1-methyl-5-nitro-1H-imidazole-2-methanol (CAS NO.91219-87-3) emits toxic vapors of NOx.

alpha-(3-(1,1-Dimethylethyl)-2-hydroxyphenyl)-1-methyl-5-nitro-1H-imidazole-2-methanol Specification

 alpha-(3-(1,1-Dimethylethyl)-2-hydroxyphenyl)-1-methyl-5-nitro-1H-imidazole-2-methanol , its cas register number is 91219-87-3. It also can be called EU 11100 ; and 1H-Imidazole-2-methanol, alpha-(3-(1,1-dimethylethyl)-2-hydroxyphenyl)-1-methyl-5-nitro- .

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