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Sigma-Aldrich

Nitromethane

ACS reagent, ≥95%

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About This Item

Empirical Formula (Hill Notation):
CH3NO2
CAS Number:
75-52-5
Molecular Weight:
61.04
Beilstein:
1698205
EC Number:
200-876-6
MDL number:
MFCD00007400
UNSPSC Code:
12352102
PubChem Substance ID:
329755264
NACRES:
NA.21
grade:
ACS reagent
Assay:
≥95%
bp:
101.2 °C (lit.)
vapor pressure:
2.7 mmHg ( 20 °C)
Pricing and availability is not currently available.

grade

ACS reagent

Quality Level

200

vapor density

2.1 (vs air)

vapor pressure

2.7 mmHg ( 20 °C)

Assay

≥95%

form

liquid

autoignition temp.

784 °F

expl. lim.

7.3 %, 33 °F

impurities

≤0.05% water

color

APHA: ≤10

refractive index

n20/D 1.382 (lit.)

pH

6.4 (20 °C, 0.01 g/L)

bp

101.2 °C (lit.)

mp

−29 °C (lit.)

density

1.127 g/mL at 25 °C (lit.)

suitability

clear for appearance

SMILES string

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

InChI

1S/CH3NO2/c1-2(3)4/h1H3

InChI key

LYGJENNIWJXYER-UHFFFAOYSA-N

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General description

Nitromethane is an aliphatic nitro compound that is commonly used as a solvent for chemical processing and analysis.

Application

Nitromethane can be used as a solvent in the:
  • FeCl3-catalyzed Friedel-Crafts alkylation of indoles with alcohols.
  • Cobalt-catalyzed dehydration of aldoximes to nitriles.
  • Chemoselective oxidation of alcohols to carbonyl compounds.
  • Gold-catalyzed hydroarylation of aryl-substituted alkynes.

Signal Word

Warning

Hazard Classifications

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

Storage Class Code

4.1A - Other explosive hazardous materials

WGK

WGK 2

Flash Point(F)

95.0 °F - closed cup

Flash Point(C)

35 °C - closed cup

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Certificates of Analysis (COA)

Lot/Batch Number
MKCT8770
MKCV0312
MKCV0898
MKCT1979
MKCT5752

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Metal ion encapsulation: cobalt cages derived from polyamines, formaldehyde, and nitromethane.
Geue RJ, et al.
Journal of the American Chemical Society, 106(19), 5478-5488 (1984)
The catalytic chemistry of nitromethane over Co-ZSM5 and other catalysts in connection with the methane-NOxSCR reaction.
Cowan AD, et al.
J. Catal., 176(2), 329-343 (1998)
Naomi Rom et al.
The journal of physical chemistry. A, 115(36), 10181-10202 (2011-08-05)
The decomposition mechanism of hot liquid nitromethane at various compressions was studied using reactive force field (ReaxFF) molecular dynamics simulations. A competition between two different initial thermal decomposition schemes is observed, depending on compression. At low densities, unimolecular C-N bond
Junhong Shan et al.
Chemosphere, 86(4), 323-328 (2011-11-01)
In this study, the effects of pH, bromide and nitrite on the formation of halonitromethanes (HNMs) and trihalomethanes (THMs) from eight amino acids (glycine, alanine, serine, cysteine, aspartic acid, glutamic acid, lysine and histidine) and four amino sugars (glucosamine, galactosamine
Ryan R Walvoord et al.
Organic letters, 14(16), 4086-4089 (2012-07-31)
An efficient cross-coupling reaction of aryl halides and nitromethane was developed with the use of parallel microscale experimentation. The arylnitromethane products are precursors for numerous useful synthetic products. An efficient method for their direct conversion to the corresponding oximes and
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