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02484

Nitromethane

analytical standard

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About This Item

Empirical Formula (Hill Notation):
CH3NO2
CAS Number:
75-52-5
Molecular Weight:
61.04
UNSPSC Code:
41116107
NACRES:
NA.24
PubChem Substance ID:
329747446
EC Number:
200-876-6
Beilstein/REAXYS Number:
1698205
MDL number:
MFCD00007400
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grade

analytical standard

Quality Level

100

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

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.

signalword

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

Regulatory Information

易制爆化学品
危险化学品

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Certificates of Analysis (COA)

Lot/Batch Number
BCCJ1277
BCCD5822
BCBW7428

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Establishment of a knowledge base for identification of residual solvents in pharmaceuticals..
Liu, et al.
Analytica Chimica Acta, 575(2), 246-254 (2006)
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)
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)
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)
Naomi Rom et al.
The journal of physical chemistry. A, 115(36), 10181-10202 (2011-08-05)
The decomposition mechanism of hot liquid nitromethane at various compressions was studied using reactive force field (ReaxFF) molecular dynamics simulations. A competition between two different initial thermal decomposition schemes is observed, depending on compression. At low densities, unimolecular C-N bond
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Global Trade Item Number

SKUGTIN
P36657-10G04061834372790
02484-1ML04061838617552

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