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Merck
모든 사진(1)

주요 문서

130206

Sigma-Aldrich

Nitroethane

reagent grade, ≥98.0%

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About This Item

Linear Formula:
CH3CH2NO2
CAS Number:
Molecular Weight:
75.07
Beilstein:
1209324
MDL number:
UNSPSC 코드:
12352102
PubChem Substance ID:
bp:
114-115 °C (lit.)
vapor pressure:
15.6 mmHg ( 20 °C)

Grade

reagent grade

vapor density

2.58 (vs air)

vapor pressure

15.6 mmHg ( 20 °C)

분석

≥98.0%

양식

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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일반 설명

Nitroethane reacts with sodium to afford sodium-nitroethane. Solution of nitroethane in caustic potash reacts with bromine to afford monobromnitroethane. It can undergo nitroaldol (Henry) condensation reaction with various aldehydes in the presence of copper(II) arylhydrazone complexes (catalyst).[1]
pK of nitroethane is 8.60.4
Nitroethane is an aprotic solvent with high polarity[2], which on oxidation with glucose oxidase gives nitrite, acetaldehyde and hydrogen peroxide as the major products.[3]

애플리케이션

Nitroethane may be used in the synthesis of the following compounds:
  • β-nitro amine derivatives[4]
  • β-aryl nitroethylenes[5]
  • 2-alkylthio-3-alkylamino-1-aryl(hetaryl)-4-nitropentene[6]

기타 정보

major impurity is 2-nitropropane

픽토그램

FlameSkull and crossbonesHealth hazard

신호어

Danger

유해 및 위험 성명서

Hazard Classifications

Acute Tox. 3 Inhalation - Acute Tox. 4 Oral - Aquatic Chronic 3 - Carc. 1B - Flam. Liq. 3 - Muta. 2

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point (°F)

87.8 °F - closed cup

Flash Point (°C)

31 °C - closed cup


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문서 라이브러리 방문

Limin Xiang et al.
Nature communications, 9(1), 1435-1435 (2018-04-14)
Under ambient conditions, the behavior of a solid surface is often dominated by a molecularly thin adsorbed layer (adlayer) of small molecules. Here we develop an optical approach to unveil the nanoscale structure and composition of small-molecule adlayers on glass
Volumetric and Viscometric Properties of Binary Mixtures of Aliphatic Alcohols (C1- C4) with Nitroethane from 293.15 K to 313.15 K
Tu H-C, et al.
Journal of Chemical and Engineering Data, 45(3), 450-456 (2000)
Copper (II) arylhydrazone complexes as catalysts for C-H activation in the Henry reaction in water
Ma Z, et al.
J. Mol. Catal. A: Chem. (2016)
Dan T Major et al.
Proceedings of the National Academy of Sciences of the United States of America, 106(49), 20734-20739 (2009-11-21)
The proton transfer reaction between the substrate nitroethane and Asp-402 catalyzed by nitroalkane oxidase and the uncatalyzed process in water have been investigated using a path-integral free-energy perturbation method. Although the dominating effect in rate acceleration by the enzyme is
Matheus P Freitas et al.
The journal of physical chemistry. A, 111(30), 7233-7236 (2007-07-10)
The stabilities of the gauche and anti conformations of butane, 1,2-dicyanoethane (DCE), and 1,2-dinitroethane (DNE) have been investigated through theoretical calculations. The gauche effect-the tendency of keeping close vicinal electronegative substituents (thetaX-C-C-X approximately 60 degrees ) in an ethane fragment-is

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