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31568

Supelco

4-Nitrotoluene

PESTANAL®, analytical standard

Synonym(s):

1-Methyl-4-nitrobenzene

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About This Item

Linear Formula:
CH3C6H4NO2
CAS Number:
Molecular Weight:
137.14
Beilstein:
1906911
EC Number:
MDL number:
UNSPSC Code:
41116107
PubChem Substance ID:

grade

analytical standard

vapor density

4.7 (vs air)

vapor pressure

5 mmHg ( 85 °C)

product line

PESTANAL®

autoignition temp.

734 °F

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

bp

238 °C (lit.)

mp

52-54 °C (lit.)

density

1.392 g/mL at 25 °C (lit.)

application(s)

environmental

format

neat

SMILES string

Cc1ccc(cc1)[N+]([O-])=O

InChI

1S/C7H7NO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3

InChI key

ZPTVNYMJQHSSEA-UHFFFAOYSA-N

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Application

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

Legal Information

PESTANAL is a registered trademark of Merck KGaA, Darmstadt, Germany

Signal Word

Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Aquatic Chronic 2 - STOT RE 2

Storage Class Code

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

WGK

WGK 3

Flash Point(F)

222.8 °F - closed cup

Flash Point(C)

106.00 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Shuang Song et al.
Journal of hazardous materials, 144(1-2), 532-537 (2006-12-05)
p-Nitrotoluene (PNT) is a nitroaromatic compound that is hazardous to humans and is a suspected hormone disrupter. The degradation of PNT in aqueous solution by ozonation (O(3)) combined with sonolysis (US) was investigated in laboratory-scale experiments in which pH, initial
Matthias Kinne et al.
Biochemical and biophysical research communications, 397(1), 18-21 (2010-05-18)
Fungal peroxygenases have recently been shown to catalyze remarkable oxidation reactions. The present study addresses the mechanism of benzylic oxygenations catalyzed by the extracellular peroxygenase of the agaric basidiomycete Agrocybe aegerita. The peroxygenase oxidized toluene and 4-nitrotoluene via the corresponding
Baoliang Chen et al.
Bioresource technology, 102(2), 716-723 (2010-09-25)
Biochar derived from agricultural biomass waste is increasingly recognized as a multifunctional material for agricultural and environmental applications. Three novel magnetic biochars (MOP250, MOP400, MOP700) were prepared by chemical co-precipitation of Fe3+/Fe2+ on orange peel powder and subsequently pyrolyzing under
Avi Cagan et al.
The Analyst, 133(5), 585-587 (2008-04-23)
A highly selective and rapid electrochemical assay of the improvised explosive urea nitrate (UN) is reported. The method involves a short ( approximately 10 s) acid-catalyzed reaction of UN with 4-nitrotoluene (NT) followed by a rapid ( approximately 2 s)
Patricia Guerra et al.
Journal of separation science, 31(15), 2891-2898 (2008-07-31)
Ion mobility spectrometry (IMS) is routinely used in screening checkpoints for the detection of explosives and illicit drugs but it mainly relies on the capture of particles on a swab surface for the detection. Solid phase microextraction (SPME) has been

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