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Cas Database |
| Name |
N-Benzylnitrosourea |
EINECS | N/A |
| CAS No. | 775-11-1 | Density | 1.28g/cm3 |
| PSA | 75.76000 | LogP | 1.94900 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C8H9 N3 O2 | Boiling Point | 318.1°C at 760 mmHg |
| Molecular Weight | 179.178 | Flash Point | 146.2°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Questionable carcinogen with experimental tumorigenic data. Mutation data reported. Many N-nitroso compounds are carcinogens. When heated to decomposition it emits toxic fumes of NOx. See also N-NITROSO COMPOUNDS. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Urea,1-benzyl-1-nitroso- (7CI,8CI); N-Benzyl-N-nitrosourea; N-Nitroso-N-benzylurea;N-Nitrosobenzylurea; NSC 67523 |
Article Data | 2 |
N-Benzylnitrosourea Chemical Properties
Product Name: N-Benzylnitrosourea (CAS NO.775-11-1)
Molecular Formula: C8H9N3O2
Molecular Weight: 179.20g/mol
Mol File: 775-11-1.mol
Boiling point: 318.1 °C at 760 mmHg
Flash Point: 146.2 °C
Density: 1.28 g/cm3
Surface Tension: 55.2 dyne/cm
Enthalpy of Vaporization: 55.95 kJ/mol
Vapour Pressure: 0.00037 mmHg at 25°C
XLogP3-AA: 0.9
H-Bond Donor: 1
H-Bond Acceptor: 3
Structure Descriptors of N-Benzylnitrosourea (CAS NO.775-11-1):
IUPAC Name: 1-benzyl-1-nitrosourea
Canonical SMILES: C1=CC=C(C=C1)CN(C(=O)N)N=O
InChI: InChI=1S/C8H9N3O2/c9-8(12)11(10-13)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,12)
InChIKey: HBOGKXXMRLVGFX-UHFFFAOYSA-N
N-Benzylnitrosourea Toxicity Data With Reference
| 1. | mmo-sat 1 µg/plate | MUREAV Mutation Research. 68 (1979),1. | ||
| 2. | mma-sat 250 µg/plate | TCMUE9 Topics in Chemical Mutagenesis. 1 (1984),13. |
N-Benzylnitrosourea Safety Profile
Questionable carcinogen with experimental tumorigenic data. Mutation data reported. Many N-nitroso compounds are carcinogens. When heated to decomposition it emits toxic fumes of NOx. See also N-NITROSO COMPOUNDS.
N-Benzylnitrosourea Specification
N-Benzylnitrosourea , its CAS NO. is 775-11-1, the synonyms are 1-12-00-00465 (Beilstein Handbook Reference) ; BRN 0642551 ; Benzylnitrosourea ; CCRIS 4432 ; N-Benzyl-N-nitrosourea ; N-Nitroso-N-benzylurea ; NSC 67523 ; Nitrosobenzylurea ; Urea, N-nitroso-N-(phenylmethyl)- .
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