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N27322

Sigma-Aldrich

4-Nitrotoluene

99%

Synonym(s):

1-Methyl-4-nitrobenzene

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About This Item

Linear Formula:
CH3C6H4NO2
CAS Number:
99-99-0
Molecular Weight:
137.14
Beilstein:
1906911
EC Number:
202-808-0
MDL number:
MFCD00007366
UNSPSC Code:
12352100
PubChem Substance ID:
24897589
NACRES:
NA.22

vapor density

4.7 (vs air)

Quality Level

200

vapor pressure

5 mmHg ( 85 °C)

Assay

99%

form

crystals

autoignition temp.

734 °F

bp

238 °C (lit.)

mp

52-54 °C (lit.)

density

1.392 g/mL at 25 °C (lit.)

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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General description

4-Nitrotoluene is a nitroaromatic compound used in the synthesis of drugs, pesticides, and dyes.

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

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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
Kou-San Ju et al.
Molecular microbiology, 82(2), 355-364 (2011-09-08)
Bacteria that assimilate synthetic nitroarene compounds represent unique evolutionary models, as their metabolic pathways are in the process of adaptation and optimization for the consumption of these toxic chemicals. We used Acidovorax sp. strain JS42, which is capable of growth
Lishan Jia et al.
Nanotechnology, 20(38), 385601-385601 (2009-08-29)
Gardenia jasminoides Ellis' water crude extract was used for the bioreduction of palladium chloride in this paper. The UV-vis spectrum, x-ray diffraction spectrum measurement, the Fourier transform infrared spectroscopy and TEM technique confirmed the formation of palladium nanoparticles and identified
Muhammet Erkan Kose et al.
The journal of physical chemistry. B, 110(29), 14032-14034 (2006-07-21)
The photoluminescence from functionalized single-walled carbon nanotubes was found to be highly sensitive to the presence of nitroaromatic compounds such as nitrobenzene, 4-nitrotoluene, and 2,4-dinitrotoluene. The strong luminescence quenching in solution was at the upper limit of diffusion-control and also
Baoliang Chen et al.
Journal of hazardous materials, 158(1), 116-123 (2008-02-26)
Sorption of naphthalene, p-nitrotoluene, nitrobenzene and m-dinitrobenzene from water to original bentonite, original bentonite in KCl solutions, and an organobentonite (i.e., 100CTMAB) was compared. The affinities of sorbates with original bentonite were extremely weak and similar (sorption coefficient (K(d))=0.41-0.94 mL/g)
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