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Merck

230731

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
UNSPSC Code:
12352102
NACRES:
NA.21
PubChem Substance ID:
329752377
EC Number:
200-876-6
Beilstein/REAXYS Number:
1698205
MDL number:
MFCD00007400
Assay:
≥99.0%
Vapor pressure:
2.7 mmHg

Key Documents

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InChI key

LYGJENNIWJXYER-UHFFFAOYSA-N

InChI

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

SMILES string

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

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

dilution

(for general lab use)

Quality Level

200

pH

6.4 (20 °C, 0.01 g/L)

mp

−29 °C (lit.)

density

1.127 g/mL at 25 °C (lit.)

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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

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Warning

Hazard Classifications

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

Storage Class

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
MKCS9807
MKCV3336
MKCS5165
MKCM4531
MKCC6005

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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.
Wenguo Yang et al.
Chemistry, an Asian journal, 7(4), 771-777 (2012-02-10)
Through the cleavage of the C-C bond, the first catalytic tandem conjugate addition-elimination reaction of Morita-Baylis-Hillman C adducts has been presented. Various S(N)2'-like C-, S-, and P-allylic compounds could be obtained with exclusive E configuration in good to excellent yields.
Eagleson M.
Concise Encyclopedia Chemistry, 696-696 (1994)
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