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| CAS No.: | 6558-78-7 |
|---|---|
| Name: | N-n-butyl-N-nitrosourethane |
| Molecular Structure: | |
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| Formula: | C7H14 N2 O3 |
| Molecular Weight: | 174.23 |
| Synonyms: | Carbamicacid, butylnitroso-, ethyl ester (7CI,8CI,9CI); N-Butyl-N-nitrosourethane;N-n-Butyl-N-nitrosourethane; NSC 123130 |
| Density: | 1.08g/cm3 |
| Boiling Point: | 207.3°C at 760 mmHg |
| Flash Point: | 79.2°C |
| Safety: | A poison by inhalation. Moderately toxic by ingestion. Experimental teratogenic data. Questionable carcinogen with experimental neoplastigenic, and tumorigenic data. Mutation data reported. See also N-NITROSO COMPOUNDS and CARBAMATES. When heated to decomposition it emits toxic fumes of NOx. |
| PSA: | 58.97000 |
| LogP: | 1.92640 |
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Chemistry
IUPAC Name: ethyl N-butyl-N-nitrosocarbamate
Empirical Formula: C7H14N2O3
Molecular Weight: 174.1977g/mol
Index of Refraction: 1.468
Molar Refractivity: 44.53 cm3
Molar Volume: 160 cm3
Polarizability: 17.65×10-24cm3
Surface Tension: 36.7 dyne/cm
Density: 1.08 g/cm3
Flash Point: 79.2 °C
Enthalpy of Vaporization: 44.35 kJ/mol
Boiling Point: 207.3 °C at 760 mmHg
Vapour Pressure: 0.227 mmHg at 25°C
Canonical SMILES: CCCCN(C(=O)OCC)N=O
InChI: InChI=1S/C7H14N2O3/c1-3-5-6-9(8-11)7(10)12-4-2/h3-6H2,1-2H3
InChIKey: RABAKMVAMFRJLX-UHFFFAOYSA-N
Structure of N-Butyl-N-nitroso ethyl carbamate (CAS NO.6558-78-7):
Toxicity Data With Reference
| 1. | mmo-bcs 5 g/L | MUREAV Mutation Research. 42 (1977),19. | ||
| 2. | dnr-bcs 5 g/L | MUREAV Mutation Research. 42 (1977),19. | ||
| 3. | cyt-ham:fbr 120 mg/L/48H | MUREAV Mutation Research. 48 (1977),337. | ||
| 4. | cyt-ham:lng 35 mg/L | GMCRDC Gann Monograph on Cancer Research. 27 (1981),95. | ||
| 5. | sce-ham:fbr 100 µmol/L | JNCIAM Journal of the National Cancer Institute. 58 (1977),1635. | ||
| 6. | orl-rat TDLo:500 mg/kg (20D preg):ETA,TER | GANNA2 Gann. Japanese Journal of Cancer Research. 71 (1980),811. | ||
| 7. | scu-rat TDLo:150 mg/kg (15-21D preg):ETA,TER | GANNA2 Gann. Japanese Journal of Cancer Research. 71 (1980),811. | ||
| 8. | orl-rat LD50:900 mg/kg | GANNA2 Gann. Japanese Journal of Cancer Research. 65 (1974),227. | ||
| 9. | ihl-mus LCLo:300 mg/m3/10M | NDRC** National Defense Research Committee, Office of Scientific Research and Development, Progress Report NDCrc-132,Nov (1942). |
Consensus Reports
EPA Genetic Toxicology Program.
Safety Profile
A poison by inhalation. Moderately toxic by ingestion. Experimental teratogenic data. Questionable carcinogen with experimental neoplastigenic, and tumorigenic data. Mutation data reported. See also N-NITROSO COMPOUNDS and CARBAMATES. When heated to decomposition it emits toxic fumes of NOx.
Specification
N-Butyl-N-nitroso ethyl carbamate , its cas register number is 6558-78-7. It also can be called 1-04-00-00372 (Beilstein Handbook Reference) ; 1-Butyl-1-nitrosourethan ; BNUR ; BRN 1780198 ; CCRIS 843 ; Carbamic acid, N-butyl-N-nitroso-, ethyl ester ; Ethyl N-butyl-N-nitrosocarbamate ; Ethylester kyseliny N-butyl-N-nitrosokarbaminove ; N-Butyl-N-nitrosocarbamate ethyl ester ; N-Butyl-N-nitrosourethan ; N-Nitrosobutylurethane ; N-n-Butyl-N-nitrosourethane ; NSC 123130 ; TL 478 . When heated to decomposition it emits toxic fumes of NOx. The storage environment of N-Butyl-N-nitroso ethyl carbamate (CAS NO.6558-78-7) should be ventilate, low-temperature and dry.