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79-24-3

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Basic Information
CAS No.: 79-24-3
Name: Ethane, nitro-
Article Data: 89
Cas Database
Molecular Structure:
Molecular Structure of 79-24-3 (Ethane, nitro-)
Formula: C2H5NO2
Molecular Weight: 75.0672
Synonyms: NSC 8800;
EINECS: 201-188-9
Density: 1.009 g/cm3
Melting Point: -90 °C
Boiling Point: 109.2 °C at 760 mmHg
Flash Point: 32.8 °C
Solubility: 4.6 g/100 mL (20 °C) in water
Appearance: colourless oily liquid with an unpleasant odour
Hazard Symbols: ToxicT, HarmfulXn
Risk Codes: 45-10-20/22
Safety: 9-23-41-25
Transport Information: UN 2842 3/PG 3
PSA: 45.82000
LogP: 0.80620
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    79-24-3

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  • Nitroethane

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    79-24-3

    Nitroethane

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  • Nitroethane

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    79-24-3

    Nitroethane

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  • nitroethane CAS NO.79-24-3 CAS NO.79-24-3

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    79-24-3

    nitroethane CAS NO.79-24-3 CAS NO.79-24-3

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Consensus Reports

Nitroethane is reported in EPA TSCA Inventory. EPA Genetic Toxicology Program.

Standards and Recommendations

OSHA PEL: TWA 100 ppm
ACGIH TLV: TWA 100 ppm
DFG MAK: 100 ppm (310 mg/m3)
DOT Classification:  3; Label: Flammable Liquid

Analytical Methods

For occupational chemical analysis use NIOSH: Nitroethane, 2526.

Specification

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:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
child TDLo oral 1478uL/kg (1.478mL/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY OBSTRUCTION

LUNGS, THORAX, OR RESPIRATION: CYANOSIS

BLOOD: METHEMOGLOBINEMIA-CARBOXYHEMOGLOBIN
Journal of Toxicology, Clinical Toxicology. Vol. 32, Pg. 321, 1994.
guinea pig LCLo inhalation 10000ppm/3H (10000ppm)   Journal of Industrial Hygiene and Toxicology. Vol. 22, Pg. 315, 1940.
mouse LCLo inhalation 19500mg/m3/2H (19500mg/m3)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 93, 1982.
mouse LD50 intraperitoneal 310mg/kg (310mg/kg)   Khimiko-Farmatsevticheskii Zhurnal. Chemical Pharmaceutical Journal. For English translation, see PCJOAU. Vol. 10(6), Pg. 53, 1976.
mouse LD50 oral 860mg/kg (860mg/kg) BEHAVIORAL: GENERAL ANESTHETIC

BEHAVIORAL: TREMOR

BEHAVIORAL: EXCITEMENT
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 32(9), Pg. 9, 1967.
rabbit LCLo inhalation 5000ppm/2H (5000ppm)   Journal of Industrial Hygiene and Toxicology. Vol. 22, Pg. 315, 1940.
rabbit LDLo oral 500mg/kg (500mg/kg) BEHAVIORAL: MUSCLE WEAKNESS

BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION
Journal of Industrial Hygiene and Toxicology. Vol. 22, Pg. 315, 1940.
rat LCLo inhalation 13000ppm/6H (13000ppm)   "Documentation of the Threshold Limit Values and Biological Exposure Indices," 5th ed., Cincinnati, OH, American Conference of Governmental Industrial Hygienists, Inc., 1986Vol. 6, Pg. 1105, 1991.
rat LD50 oral 1100mg/kg (1100mg/kg) BEHAVIORAL: GENERAL ANESTHETIC

BEHAVIORAL: TREMOR

BEHAVIORAL: EXCITEMENT
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 32(9), Pg. 9, 1967.
rat LDLo intraperitoneal 1600mg/kg (1600mg/kg) BLOOD: METHEMOGLOBINEMIA-CARBOXYHEMOGLOBIN Bulletin de la Societe de Pharmacie de Lille. Vol. (4), Pg. 137, 1972.