-
Name
dimethyl [(1-methyl-5-nitro-1H-imidazol-2-yl)methylidene]propanedioate
- EINECS
- CAS No. 94855-74-0
- Density 1.4g/cm3
- Solubility
- Melting Point
- Formula C10H11N3O6
- Boiling Point 393.6°Cat760mmHg
- Molecular Weight 269.214
- Flash Point 191.9°C
- Transport Information
- Appearance
- Safety Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms
- PSA
- LogP
Dimethyl ((1-methyl-5-nitro-1H-imidazol-2-yl)methylene)propanedioate Chemical Properties
IUPAC Name: Dimethyl 2-[(1-methyl-5-nitroimidazol-2-yl)methylidene]propanedioate
Synonyms of Dimethyl ((1-methyl-5-nitro-1H-imidazol-2-yl)methylene)propanedioate (CAS NO.94855-74-0): ((1-Methyl-5-nitro-1H-imidazol-2-yl)methylene)propanedioic acid dimethyl ester ; Propanedioic acid, ((1-methyl-5-nitro-1H-imidazol-2-yl)methylene)-, dimethyl ester
InChI: InChI=1/C10H11N3O6/c1-12-7(11-5-8(12)13(16)17)4-6(9(14)18-2)10(15)19-3/h4-5H,1-3H3
InChIKey: CLVBFGFOUORHIC-UHFFFAOYAU
Std. InChI: InChI=1S/C10H11N3O6/c1-12-7(11-5-8(12)13(16)17)4-6(9(14)18-2)10(15)19-3/h4-5H,1-3H3
Std. InChIKey: CLVBFGFOUORHIC-UHFFFAOYSA-N
CAS NO: 94855-74-0
Molecular Formula: C10H11N3O6
Molecular Weight: 269.2108
Molecular Structure : .png)
H bond acceptors: 9
H bond donors: 0
Freely Rotating Bonds: 6
Polar Surface Area: 116.24Å2
Index of Refraction: 1.57
Molar Refractivity: 62.67 cm3
Molar Volume: 190.9 cm3
Surface Tension: 51.7 dyne/cm
Density: 1.4 g/cm3
Flash Point: 191.9 °C
Enthalpy of Vaporization: 64.35 kJ/mol
Boiling Point: 393.6 °C at 760 mmHg
Vapour Pressure: 2.1E-06 mmHg at 25°C
Dimethyl ((1-methyl-5-nitro-1H-imidazol-2-yl)methylene)propanedioate Toxicity Data With Reference
| 1. | uns-bac-esc 3800 pmol/tube | EMMUEG Environmental and Molecular Mutagenesis. 19 (1992),167. |
Dimethyl ((1-methyl-5-nitro-1H-imidazol-2-yl)methylene)propanedioate Safety Profile
Mutation data reported. When Dimethyl ((1-methyl-5-nitro-1H-imidazol-2-yl)methylene)propanedioate (CAS NO.94855-74-0) is heated to decomposition, it emits toxic vapors of NOx.
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