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227870

Sigma-Aldrich

Nitroethane

ReagentPlus®, 99.5%

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About This Item

Linear Formula:
CH3CH2NO2
CAS Number:
79-24-3
Molecular Weight:
75.07
Beilstein:
1209324
EC Number:
201-188-9
MDL number:
MFCD00007404
UNSPSC Code:
12352102
PubChem Substance ID:
329752345
Assay:
99.5%
bp:
114-115 °C (lit.)
vapor pressure:
15.6 mmHg ( 20 °C)

vapor density

2.58 (vs air)

Quality Level

100

vapor pressure

15.6 mmHg ( 20 °C)

product line

ReagentPlus®

Assay

99.5%

form

liquid

autoignition temp.

778 °F

expl. lim.

3.4 %

refractive index

n20/D 1.391 (lit.)

bp

114-115 °C (lit.)

mp

−90 °C (lit.)

solubility

acetone: soluble(lit.)
alcohol: soluble(lit.)
water: slightly soluble(lit.)

density

1.045 g/mL at 25 °C (lit.)

SMILES string

CC[N+]([O-])=O

InChI

1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3

InChI key

MCSAJNNLRCFZED-UHFFFAOYSA-N

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Legal Information

ReagentPlus is a registered trademark of Merck KGaA, Darmstadt, Germany

Signal Word

Warning

Hazard Classifications

Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Aquatic Chronic 3 - Flam. Liq. 3 - Repr. 2

Storage Class Code

3 - Flammable liquids

WGK

WGK 2

Flash Point(F)

87.8 °F - closed cup

Flash Point(C)

31 °C - closed cup

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

PRTR

Class II Designated Chemical Substances

FSL

Group 5: Self-reactive substances
Nitro compounds
Hazardous rank II
2nd self-reactive materials

ISHL Indicated Name

Substances Subject to be Indicated Names

ISHL Notified Names

Substances Subject to be Notified Names

JAN Code

227870-10G:4548173350448
227870-VAR-D:
227870-50G:4548173354026
227870-BULK:
227870-VAR:

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Certificates of Analysis (COA)

Lot/Batch Number
MKBN5177V
MKBL6151V
MKBJ3670V

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Kevin Francis et al.
Biochemistry, 47(35), 9136-9144 (2008-08-12)
The deprotonation of nitroethane catalyzed by Neurospora crassa 2-nitropropane dioxygenase was investigated by measuring the formation and release of ethylnitronate formed in turnover as a function of pH and through mutagenesis studies. Progress curves for the enzymatic reaction obtained by
Paul F Fitzpatrick et al.
Archives of biochemistry and biophysics, 433(1), 157-165 (2004-12-08)
While several flavoproteins will oxidize nitroalkanes in addition to their physiological substrates, nitroalkane oxidase (NAO) is the only one which does not require the anionic nitroalkane. This, in addition to the induction of NAO by nitroethane seen in Fusarium oxysporum
Dan T Major et al.
Journal of the American Chemical Society, 127(47), 16374-16375 (2005-11-25)
We have carried out a mixed molecular dynamics and centroid path integral simulation using a combined quantum mechanical and molecular mechanical (QM/MM) potential to study the anomalous Brønsted relationship between rates and equilibria for deprotonation of nitroalkanes in water, which
S T Stokes et al.
The Journal of chemical physics, 129(6), 064308-064308 (2008-08-22)
Valence and dipole-bound negative ions of the nitroethane (NE) molecule and its clusters are studied using photoelectron spectroscopy (PES), Rydberg electron transfer (RET) techniques, and ab initio methods. Valence adiabatic electron affinities (EA(a)s) of NE, C(2)H(5)NO(2), and its clusters, (C(2)H(5)NO(2))(n)
Hector Gutierrez-Bañuelos et al.
Anaerobe, 13(1), 21-31 (2007-01-09)
Nitroethane inhibits the growth of certain zoonotic pathogens such as Campylobacter and Salmonella spp., foodborne pathogens estimated to cause millions of human infections each year, and enhances the Salmonella- and Escherichia coli-killing effect of an experimental chlorate product being developed
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