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02484

Supelco

Nitromethane

analytical standard

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About This Item

Empirical Formula (Hill Notation):
CH3NO2
CAS Number:
Molecular Weight:
61.04
Beilstein:
1698205
EC Number:
MDL number:
UNSPSC Code:
41116107
PubChem Substance ID:
NACRES:
NA.24

grade

analytical standard

Quality Level

vapor density

2.1 (vs air)

Assay

≥99.0% (GC)

autoignition temp.

784 °F

shelf life

limited shelf life, expiry date on the label

expl. lim.

7.3 %, 33 °F

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

refractive index

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

bp

101.2 °C (lit.)

mp

−29 °C (lit.)

density

1.127 g/mL at 25 °C (lit.)

application(s)

environmental

format

neat

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 belongs to the class of residual solvents which are volatile organic compounds (VOCs) that are employed in manufacturing processes of pharmaceutical industries.

Application

Nitromethane has been used as a reference standard for the determination of nitromethane in cigarette smoke by high-throughput solid phase microextraction coupled with gas chromatography−mass spectrometry (SPME-GC−MS) and in drug substances by static headspace GC. It may be used as a reference standard for the determination of nitromethane in gaseous and liquid samples by thermal desorption−GC-MS.

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

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Quality control in quantification of volatile organic compounds analysed by thermal desorption-gas chromatography-mass spectrometry.
Demeestere, et al.
Journal of Chromatography A, 1186(1-2), 348-357 (2008)
Simultaneous analysis of 22 volatile organic compounds in cigarette smoke using gas sampling bags for high-throughput solid-phase microextraction.
Sampson, et al.
Analytical Chemistry, 86(14), 7088-7095 (2014)
Establishment of a knowledge base for identification of residual solvents in pharmaceuticals..
Liu, et al.
Analytica Chimica Acta, 575(2), 246-254 (2006)
A generic static headspace gas chromatography method for determination of residual solvents in drug substance.
Cheng, et al.
Journal of Chromatography A, 1217(41), 6413-6421 (2010)
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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