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Safety Information

125148

Sigma-Aldrich

2-Chloro-4-nitrotoluene

97%

Synonym(s):

2-Chloro-1-methyl-4-nitrobenzene

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About This Item

Linear Formula:
CH3C6H3(NO2)Cl
CAS Number:
121-86-8
Molecular Weight:
171.58
Beilstein:
1817924
EC Number:
204-501-7
MDL number:
MFCD00007210
UNSPSC Code:
12352100
PubChem Substance ID:
24847649

Assay

97%

mp

60-64 °C (lit.)

solubility

acetonitrile: soluble

SMILES string

Cc1ccc(cc1Cl)[N+]([O-])=O

InChI

1S/C7H6ClNO2/c1-5-2-3-6(9(10)11)4-7(5)8/h2-4H,1H3

InChI key

LLYXJBROWQDVMI-UHFFFAOYSA-N

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General description

FT-IR and FT-Raman spectra of 2-chloro-4-nitrotoluene have been studied in the regions 4000-400 and 4000-100 cm-1.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H302,H319

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2

Storage Class Code

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 2

Flash Point(F)

212.0 °F - closed cup

Flash Point(C)

100 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
09527PQ
08113TD
04516AR

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Combined spectroscopic and DFT studies on 2-chloro-4-nitrotoluene and 4-chloro-2-nitrotoluene.
Arjunan V, et al.
Journal of Molecular Structure, 10(16), 82-96 (2012)
Gundula Wolf et al.
Journal of biotechnology, 128(4), 801-812 (2007-02-13)
An improved method for deconvoluting complex spectral maps from bidimensional fluorescence monitoring is presented, relying on a combination of principal component analysis (PCA) and feedforward artificial neural networks (ANN). With the aim of reducing ANN complexity, spectral maps are first
[Method of determining p-nitrotoluene, 2-chloro-4-nitrotoluene and 3-chloro-4-methylaniline in the air].
I I Pilenkova et al.
Gigiena truda i professional'nye zabolevaniia, (1)(1), 43-44 (1980-01-01)
G Wolf et al.
Biotechnology and bioengineering, 72(3), 297-306 (2001-01-03)
The use of two-dimensional scanning fluorometry as an on-line, noninvasive, in situ bioreactor monitoring technique is extended to complex bioprocesses using mixed cultures, with particular attention to biofilm systems. Using the example of spectra subtraction, it is demonstrated that established

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