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| Name |
Brl 51308 |
EINECS | N/A |
| CAS No. | 41459-10-3 | Density | 1.25g/cm3 |
| PSA | 82.94000 | LogP | 1.45510 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C9H15N5O2 | Boiling Point | 292.9°C at 760 mmHg |
| Molecular Weight | 225.29 | Flash Point | 130.9°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Moderately toxic by intraperitoneal route. When heated to decomposition it emits toxic vapors of NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
5-(3,3-dimethyl-triaz-1-enyl)-2-methyl-1(3)H-imidazole-4-carboxylic acid ethyl ester;5-(3,3-Dimethyl-1-triazeno)-2-methyl-1H-imidazole-4-carboxylic acid ethyl ester;1-(4-Ethoxycarbonyl-2-methyl-1H-imidazol-5-yl)-3,3-dimethyltriazene;4-Carbethoxy-5-(3,3-dimethyl-triazeno)-2-methylimidazol; |
Brl 51308 Chemical Properties
Product Name: Brl 51308 (CAS NO.41459-10-3)
Molecular Formula: C9H15N5O2
Molecular Weight: 225.29g/mol
Mol File: 41459-10-3.mol
Boiling point: 292.9 °C at 760 mmHg
Flash Point: 130.9 °C
Density: 1.25 g/cm3
Surface Tension: 41.7 dyne/cm
Enthalpy of Vaporization: 53.24 kJ/mol
Vapour Pressure: 0.00179 mmHg at 25°C
XLogP3-AA: 1.1
H-Bond Donor: 1
H-Bond Acceptor: 7
Structure Descriptors of Brl 51308 (CAS NO.41459-10-3):
IUPAC Name: Ethyl(5Z)-5-(dimethylaminohydrazinylidene)-2-methylimidazole-4-carboxylate
Canonical SMILES: CCOC(=O)C1=NC(=NC1=NNN(C)C)C
Isomeric SMILES: CCOC(=O)C\1=NC(=N/C1=N\NN(C)C)C
InChI: InChI=1S/C9H15N5O2/c1-5-16-9(15)7-8(11-6(2)10-7)12-13-14(3)4/h13H,5H2,1-4H3/b12-8-
InChIKey: UFELNFYEVMQQML-WQLSENKSSA-N
Brl 51308 Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 567mg/kg (567mg/kg) | Cancer Treatment Reports. Vol. 62, Pg. 721, 1978. |
Brl 51308 Safety Profile
Moderately toxic by intraperitoneal route. When heated to decomposition it emits toxic vapors of NOx.
Brl 51308 Specification
Brl 51308 , its CAS NO. is 41459-10-3, the synonyms are 4-Carbethoxy-5-(3,3-dimethyl-1-triazeno)-2-methylimidazole ; BRN 0916035 ; 1H-Imidazole-4-carboxylic acid, 5-(3,3-dimethyl-1-triazenyl)-2-methyl-, ethyl ester ; 4-Carbethoxy-5-(3,3-dimethyl-1-triazeno)-2-methylimidazole .
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