125148
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:
Molecular Weight:
171.58
EC Number:
204-501-7
UNSPSC Code:
12352100
PubChem Substance ID:
Beilstein/REAXYS Number:
1817924
MDL number:
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
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.
signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Oral - Eye Irrit. 2
Storage Class
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
ppe
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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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)