The Ethyl nitroacetate, with the CAS registry number 626-35-7, is also known as Nitroacetic acid ethyl ester. It belongs to the product categories of C2 to C5; Carbonyl Compounds; Esters. Its EINECS number is 210-944-7. This chemical's molecular formula is C₄H₇NO₄ and molecular weight is 133.10. What's more, its systematic name is Ethyl nitroacetate. Its classification code is Drug / Therapeutic Agent. This chemical should be sealed and stored in a cool and dry place. Moreover, it should be protected from oxides.

Physical properties of Ethyl nitroacetate are: (1)ACD/LogP: 0.518; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.34; (4)ACD/LogD (pH 7.4): -1.05; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 30.22; (8)ACD/KOC (pH 7.4): 1.24; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 72.12 Å²; (13)Index of Refraction: 1.426; (14)Molar Refractivity: 28.378 cm³; (15)Molar Volume: 110.823 cm³; (16)Polarizability: 11.25×10^-24cm³; (17)Surface Tension: 37.7 dyne/cm; (18)Density: 1.201 g/cm³; (19)Flash Point: 92.222 °C; (20)Enthalpy of Vaporization: 44.483 kJ/mol; (21)Boiling Point: 208.565 °C at 760 mmHg; (22)Vapour Pressure: 0.2 mmHg at 25°C.

Preparation: this chemical can be prepared by ethanol and nitroacetic acid at the temperature of 0°C. This reaction will need reagent DCC and solvent tetrahydrofuran. The yield is about 90%.

Uses of Ethyl nitroacetate: it can be used to produce Nitroacetic acid 2-(trimethylsilyl)ethyl ester by heating. It will need reagent titanium tetraisopropoxide and solvent benzene with the reaction time of 1 hour. The yield is about 79%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to skin. You should not breathe dust. When using it, you must avoid contact with skin and eyes and you need wear suitable protective gloves.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)CC(=O)OCC
(2)Std. InChI: InChI=1S/C4H7NO4/c1-2-9-4(6)3-5(7)8/h2-3H2,1H3
(3)Std. InChIKey: FTKASJMIPSSXBP-UHFFFAOYSA-N

The toxicity data is as follows: