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| Name |
Nitrosobromoethylurea |
EINECS | N/A |
| CAS No. | 69113-02-6 | Density | 1.95g/cm3 |
| PSA | 76.75000 | LogP | 0.95720 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C3H6 Br N3 O2 | Boiling Point | 258.7°C at 760 mmHg |
| Molecular Weight | 196 | Flash Point | 110.3°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Mutation data reported. Many N-nitroso compounds are carcinogens. When heated to decomposition it emits very toxic fumes of Br− and NOx. See also N-NITROSO COMPOUNDS. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
N-(2-Bromoethyl)-N-nitrosourea |
Nitrosobromoethylurea Chemical Properties
Product Name: Nitrosobromoethylurea (CAS NO.69113-02-6)
Molecular Formula: C3H6BrN3O2
Molecular Weight: 196g/mol
Mol File: 69113-02-6.mol
Boiling point: 258.7 °C at 760 mmHg
Flash Point: 110.3 °C
Density: 1.95 g/cm3
Surface Tension: 66.9 dyne/cm
Enthalpy of Vaporization: 49.64 kJ/mol
Vapour Pressure: 0.0135 mmHg at 25°C
XLogP3-AA: 0.7
H-Bond Donor: 1
H-Bond Acceptor: 3
Structure Descriptors of Nitrosobromoethylurea (CAS NO.69113-02-6):
IUPAC Name: 1-(2-bromoethyl)-1-nitrosourea
Canonical SMILES: C(CBr)N(C(=O)N)N=O
InChI: InChI=1S/C3H6BrN3O2/c4-1-2-7(6-9)3(5)8/h1-2H2,(H2,5,8)
InChIKey: MHVNFDDSDACNJV-UHFFFAOYSA-N
Nitrosobromoethylurea Toxicity Data With Reference
| 1. | mmo-sat 1 µg/plate | MUREAV Mutation Research. 68 (1979),1. | ||
| 2. | dnr-esc 320 µmol/L | MUREAV Mutation Research. 202 (1988),193. |
Nitrosobromoethylurea Safety Profile
Mutation data reported. Many N-nitroso compounds are carcinogens. When heated to decomposition it emits very toxic fumes of Br− and NOx. See also N-NITROSO COMPOUNDS.
Nitrosobromoethylurea Specification
Nitrosobromoethylurea , its CAS NO. is 69113-02-6, the synonyms are 1-(2-Bromoethyl)-1-nitrosourea ; BRN 2246261 ; CCRIS 1849 ; N-(2-Bromoethyl)-N-nitrosourea ; Urea, 1-(2-bromoethyl)-1-nitroso- .
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