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| CAS No.: | 64057-51-8 |
|---|---|
| Name: | N-(2-Chloroethyl)-N-nitrosoacetamide |
| Article Data: | 2 |
| Molecular Structure: | |
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|
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| Formula: | C4H7ClN2O2 |
| Molecular Weight: | 150.565 |
| Synonyms: | N-(2-chloroethyl)-N-nitroso-acetamide;N-(beta-Chloroethyl)-N-nitrosoacetamide;ACETAMIDE, N-(2-CHLOROETHYL)-N-NITROSO-; |
| Density: | 1.3g/cm3 |
| Boiling Point: | 193.5°C at 760 mmHg |
| Flash Point: | 70.8°C |
| Safety: | Mutation data reported. Many N-nitroso compounds are carcinogens. When heated to decomposition it emits very toxic fumes of Cl− and NOx. See also N-NITROSO COMPOUNDS. |
| PSA: | 49.74000 |
| LogP: | 0.75510 |
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Chemistry
Molecule structure of N-(beta-Chloroethyl)-N-nitrosoacetamide (CAS NO.64057-51-8):
IUPAC Name: N-(2-Chloroethyl)-N-nitrosoacetamide
Molecular Weight: 150.56358 g/mol
Molecular Formula: C4H7ClN2O2
Density: 1.3 g/cm3
Boiling Point: 193.5 °C at 760 mmHg
Flash Point: 70.8 °C
Index of Refraction: 1.503
Molar Refractivity: 34.1 cm3
Molar Volume: 115.1 cm3
Polarizability: 13.52×10-24 cm3
Surface Tension: 43.1 dyne/cm
Enthalpy of Vaporization: 42.97 kJ/mol
Vapour Pressure: 0.464 mmHg at 25 °C
XLogP3: 0.6
H-Bond Acceptor: 3
Rotatable Bond Count: 2
Exact Mass: 150.019605
MonoIsotopic Mass: 150.019605
Topological Polar Surface Area: 49.7
Heavy Atom Count: 9
Complexity: 117
Canonical SMILES: CC(=O)N(CCCl)N=O
InChI: InChI=1S/C4H7ClN2O2/c1-4(8)7(6-9)3-2-5/h2-3H2,1H3
InChIKey: HPVMVBSBKXPUMG-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | mmo-sat 1 nmol/plate | CNREA8 Cancer Research. 43 (1983),175. | ||
| 2. | mma-sat 2 nmol/plate | CNREA8 Cancer Research. 39 (1979),1328. | ||
| 3. | pic-esc 2 mg/L | CNREA8 Cancer Research. 39 (1979),1328. | ||
| 4. | dnd-mus:leu 500 nmol/L | CNREA8 Cancer Research. 43 (1983),175. |
Safety Profile
Mutation data reported. Many N-nitroso compounds are carcinogens. When heated to decomposition it emits very toxic fumes of Cl− and NOx. See also N-NITROSO COMPOUNDS.
Specification
N-(beta-Chloroethyl)-N-nitrosoacetamide (CAS NO.64057-51-8) is also named as 4-04-00-03387 (Beilstein Handbook Reference) ; BRN 1766112 ; N-(2-Chloroethyl)-N-nitrosoacetamide ; Acetamide, N-(2-chloroethyl)-N-nitroso- . N-(beta-Chloroethyl)-N-nitrosoacetamide (CAS NO.64057-51-8) is highly toxic. It is flammable. It will produce toxic nitrogen oxide and chloride fumes when buring. So the storage environment should be ventilate, low-temperature and dry. Keep N-(beta-Chloroethyl)-N-nitrosoacetamide (CAS NO.64057-51-8) separate from raw materials of food.