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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

vapor density

2.58 (vs air)

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

Certificates of Analysis (COA)

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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
A K Bozic et al.
Bioresource technology, 100(17), 4017-4025 (2009-04-14)
The effects of several methane-inhibitors on rumen fermentation were compared during three 24h consecutive batch cultures of ruminal microbes in the presence of nonlimiting amounts of hydrogen. After the initial incubation series, methane production was reduced greater than 92% from
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)
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