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Merck
CN

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%
Bp:
101.2 °C (lit.)
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

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.)

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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

Regulatory Information

易制爆化学品
危险化学品
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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.
Eagleson M.
Concise Encyclopedia Chemistry, 696-696 (1994)
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.
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