79-24-3

The Nitroethane is an organic compound with the formula C₂H₅NO₂. The IUPAC name of this chemical is 1-nitroethane. With the CAS registry number 79-24-3, it is also named as Nitroetan. The product's category is Organics. Besides, it is colourless oily liquid with an unpleasant odour, which should be stored in a cool and well-ventilated place.

Physical properties about Nitroethane are: (1)ACD/LogP: 0.34; (2)ACD/LogD (pH 5.5): 0.34; (3)ACD/LogD (pH 7.4): 0.31; (4)#H bond acceptors: 3; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 45.82 Å²; (7)Index of Refraction: 1.382; (8)Molar Refractivity: 17.33 cm³; (9)Molar Volume: 74.3 cm³; (10)Polarizability: 6.87×10^-24cm³; (11)Surface Tension: 27.5 dyne/cm; (12)Density: 1.009 g/cm³; (13)Flash Point: 32.8 °C; (14)Enthalpy of Vaporization: 33.35 kJ/mol; (15)Boiling Point: 109.2 °C at 760 mmHg; (16)Vapour Pressure: 29.4 mmHg at 25°C.

Preparation: this chemical is produced industrially by treating propane with nitric acid at 350–450 °C. This exothermic reaction produces four industrially significant nitroalkanes: nitromethane, nitroethane, 1-nitropropane, and 2-nitropropane. The reaction involves free radicals, such as CH₃CH₂CH₂O, which arise via homolysis of the corresponding nitrite ester. These alkoxy radicals are susceptible to C-C fragmentation reactions, which explains the formation of a mixture of products.

Uses of Nitroethane: it converts to several compounds of commercial interest. Condensation with 3,4-dimethoxybenzaldehyde affords the precursor to the antihypertensive drug methyldopa; condensation with unsubstituted benzaldehyde yields phenyl-2-nitropropene. Nitroethane condenses with two equivalents of formaldehyde to give, after hydrogenation, 2-amino-2-methyl-1,3-propanediol, which in turn condenses with oleic acid to give an oxazoline, which protonates to give a cationic surfactant. Nitroethane is also used as a fuel additive and a precursor to explosives. Nitroethane is a useful solvent for polymers such as polystyrene and is particularly useful for dissolving cyanoacrylate adhesives.[citation needed] In niche applications, it has been used as a component in artificial nail remover and in overhead ceiling sealant sprays.

When you are using this chemical, please be cautious about it as the following:
It is flammable and harmful by inhalation and if swallowed. Besides, this chemical may cause cancer. When you are using it, do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) and avoid contact with eyes. In case of fire and/or explosion do not breathe fumes.

You can still convert the following datas into molecular structure:
(1)SMILES: CC[N+](=O)[O-]
(2)InChI: InChI=1/C2H5NO2/c1-2-3(4)5/h2H2,1H3
(3)InChIKey: MCSAJNNLRCFZED-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3
(5)Std. InChIKey: MCSAJNNLRCFZED-UHFFFAOYSA-N

The toxicity data is as follows: