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73478

Sigma-Aldrich

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
Beilstein:
1698205
EC Number:
200-876-6
MDL number:
MFCD00007400
UNSPSC Code:
12352102
PubChem Substance ID:
57652479
NACRES:
NA.21

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

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.)

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 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.

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

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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.

PRTR

Class I Designated Chemical Substances

FSL

Group 5: Self-reactive substances
Nitro compounds
Hazardous rank I
1st self-reactive materials

ISHL Indicated Name

Substances Subject to be Indicated Names

ISHL Notified Names

Substances Subject to be Notified Names

JAN Code

73478-100ML:4548173955810
73478-500ML:4548173955827
73478-VAR:
73478-BULK:

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Certificates of Analysis (COA)

Lot/Batch Number
STBK8233
STBK7885
STBK4359
STBK3435
STBJ9846

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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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