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230731

Sigma-Aldrich

Nitromethane

ReagentPlus®, ≥99.0%

Synonym(s):

Nitrocarbol

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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:
329752377
NACRES:
NA.21

vapor density

2.1 (vs air)

vapor pressure

2.7 mmHg

product line

ReagentPlus®

Assay

≥99.0%

form

liquid

autoignition temp.

784 °F

expl. lim.

7.3 %, 33 °F

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.)

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 (CH3NO2) is the simplest nitro organic compound used for a wide range of applications, including as polar solvents to racing fuel. It serves as a solvent for organic chemistry and as a valuable building block for various useful compounds like nitroalkanes, β-nitroalcohols, nitroalkenes, carbonyl compounds, amines, and heterocycles. In industry, nitromethane can be used to stabilize halogenated hydrocarbons.

Application

Nitromethane can be used:
  • As a reagent in the synthesis of 3-nitroindoles by arylation with N-(2-bromoaryl) imidates using palladium catalyst.
  • As a cyanating reagent for the synthesis of thiocyanates in presence of base (KOAc) and iodine.
  • In the preparation of cobalt cage complexes from polyamines and formaldehyde.
  • As a solvent in the preparation of β-substituted γ-nitroaldehydes by enantioselective cross-coupling of β-arylated or γ,δ-unsaturated aldehydes using oxidizing agent DDQ (2,3-dichloro-5,6-dicyanoquinone) and catalyst diphenylprolinol silyl ether.

Features and Benefits

Nitromethane as high energy monopropellant exhibits
  • Low toxicity.
  • High specific impulse.

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 - 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

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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)
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)
Benedek Vakulya et al.
Organic letters, 7(10), 1967-1969 (2005-05-07)
Cinchona alkaloid-derived chiral bifunctional thiourea organocatalysts were synthesized and applied in the Michael addition between nitromethane and chalcones with high ee and chemical yields.
Atanu Bhattacharya et al.
The Journal of chemical physics, 136(2), 024321-024321 (2012-01-21)
Decomposition of electronically excited nitro-containing molecules with different X-NO(2) (X = C, N, O) moieties has been intensively investigated over the past decades; however, their decomposition behavior has not previously been compared and contrasted. Comparison of their unimolecular decomposition behavior
Eagleson M.
Concise Encyclopedia Chemistry, 696-696 (1994)
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