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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

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Certificates of Analysis (COA)

Lot/Batch Number
BCCM3335
BCCK1175
BCCH1242
BCCF7353
BCCC5787

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Sigma-Aldrich

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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)
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
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)
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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