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230731

Nitromethane

ReagentPlus®, ≥99.0%

Synonym(s):

Nitrocarbol

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About This Item

Linear Formula:
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
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vapor density

2.1 (vs air)

Quality Segment

200

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)

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

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 Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

Class I Designated Chemical Substances

prtr

Group 5: Self-reactive substances + Nitro compounds + Hazardous rank II + 2nd self-reactive materials

fsl

Substances Subject to be Indicated Names

ishl_indicated

Substances Subject to be Notified Names

ishl_notified

230731-25ML:4.548173931982E12 + 230731-100ML:4.548173931975E12

jan

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