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Merck
CN

N27322

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

Key Documents

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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

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
BCCN2520
BCCM9322
BCCM3335
BCCK1175
BCCH1242

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Zinc oxide-copper sulfide semiconductor nano-heterostructure for low-level electrochemical detection of 4-nitrotoluene
Urmila C et al.
Electrochimica Acta, 447, 142160-142160 (2023)
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)
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
S Ramalingam et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 75(4), 1308-1314 (2010-02-06)
In this work, the experimental and theoretical study on molecular structure and vibrational spectra of 4-nitrotoluene are studied. The FTIR and FTRaman experimental spectra of the molecule have been recorded in the range of 4000-100 cm(-1). Making use of the
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
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