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Merck

73478

Nitromethane

puriss., absolute, over molecular sieve, ≥98.5% (GC)

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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:
57652479
EC Number:
200-876-6
Beilstein/REAXYS Number:
1698205
MDL number:
MFCD00007400
Assay:
≥98.5% (GC)
Technique(s):
GC/GC: suitable
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

grade

absolute, puriss.

assay

≥98.5% (GC)

form

liquid

autoignition temp.

784 °F

quality

over molecular sieve

expl. lim.

7.3 %, 33 °F

technique(s)

GC/GC: suitable

impurities

≤0.01% water
water

refractive index

n20/D 1.382 (lit.), n20/D 1.382

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.)

Quality Level

100

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General description

Nitromethane is an aliphatic nitro compound. It undergoes Michael addition reaction with chalcones in the presence of cinchona alkaloid-derived chiral bifunctional thiourea organocatalyst. Its conversion to N2 in the presence of Co-ZSM5 (Zeolite Socony Mobil-5) has been studied.

Application

Nitromethane may be employed in the preparation of cobalt cage complexes.

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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

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
STBK8233
STBK7885
STBK7185
STBK4359
STBK3435

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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)
Loay Awad
Experimental and therapeutic medicine, 19(3), 1835-1843 (2020-02-28)
Chemotherapy and radiation are unable to eliminate all cancer cells, particularly apoptosis-resistant cancer cells, despite their ability to kill cancer cluster cells. Thus, it is important to identify methods that eliminate all cancer cells in order to prevent relapse. Salinomycin
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.
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