Acetic acid,cyanonitroso-, ethyl ester (8CI,9CI) supplier

Name
ethyl 2-cyano-2-nitroso-acetate
EINECS
CAS No. 5457-25-0
Density 1.24 g/cm³
Solubility
Melting Point
Formula C₅H₆N₂O₃
Boiling Point 198.5 °C at 760 mmHg
Molecular Weight 142.114
Flash Point 73.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ethylcyanonitrosoacetate;Ethyl nitrosocyanacetate;NSC 24930;Ethyl 3-nitrilo-n-oxoalaninate;NSC24930;AC1Q4QSW;AC1L5J6G;Ethyl 2-cyano-2-nitrosoacetate;AR-1I8888;CID230278;
PSA 79.52000
LogP 0.20808

Acetic acid,cyanonitroso-, ethyl ester (8CI,9CI) Specification

The Acetic acid,cyanonitroso-, ethyl ester (8CI,9CI) with CAS registry number of 5457-25-0 is also known as Ethyl 3-nitrilo-n-oxoalaninate. The IUPAC name is Ethyl 2-cyano-2-nitrosoacetate. In addition, the formula is C₅H₆N₂O₃ and the molecular weight is 142.11.

Physical properties about Acetic acid,cyanonitroso-, ethyl ester (8CI,9CI) are: (1)ACD/LogP: 1.29; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 5; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 79.52Å²; (7)Index of Refraction: 1.495; (8)Molar Refractivity: 33.46 cm³; (9)Molar Volume: 114.5 cm³; (10)Polarizability: 13.26×10^-24cm³; (11)Surface Tension: 45.3 dyne/cm; (12)Density: 1.24 g/cm³; (13)Flash Point: 73.9 °C; (14)Enthalpy of Vaporization: 43.47 kJ/mol; (15)Boiling Point: 198.5 °C at 760 mmHg; (16)Vapour Pressure: 0.358 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: N#CC(N=O)C(=O)OCC
2. InChI: InChI=1/C5H6N2O3/c1-2-10-5(8)4(3-6)7-9/h4H,2H2,1H3
3. InChIKey: TVFCFJLTGCCYOZ-UHFFFAOYAV
4. Std. InChI: InChI=1S/C5H6N2O3/c1-2-10-5(8)4(3-6)7-9/h4H,2H2,1H3
5. Std. InChIKey: TVFCFJLTGCCYOZ-UHFFFAOYSA-N

Product Name

ethyl 2-cyano-2-nitroso-acetate

Acetic acid,cyanonitroso-, ethyl ester (8CI,9CI) Specification

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