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D68800

Sigma-Aldrich

1,2-Dichloro-4-nitrobenzene

99%

Synonym(s):

3,4-Dichloronitrobenzene, asym.-Nitro-o-dichlorobenzene

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About This Item

Linear Formula:
Cl2C6H3NO2
CAS Number:
99-54-7
Molecular Weight:
192.00
Beilstein:
1818163
EC Number:
202-764-2
MDL number:
MFCD00007207
UNSPSC Code:
12352100
PubChem Substance ID:
24894057
NACRES:
NA.22

Assay

99%

form

crystals

bp

255-256 °C (lit.)

mp

39-41 °C (lit.)

SMILES string

[O-][N+](=O)c1ccc(Cl)c(Cl)c1

InChI

1S/C6H3Cl2NO2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H

InChI key

NTBYINQTYWZXLH-UHFFFAOYSA-N

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Related Categories

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H302,H317,H319

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Sens. 1

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

255.2 °F - closed cup

Flash Point(C)

124 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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Nattaya Konsue et al.
Molecular nutrition & food research, 54(10), 1477-1485 (2010-05-05)
A principal mechanism of the chemopreventive activity of isothiocyanates is detoxification of the genotoxic metabolites of chemical carcinogens through up-regulation of enzymes such as quinone reductase and the glutathione-S-transferases. In this study we report, for the first time, the potential
J E van Hylckama Vlieg et al.
Journal of bacteriology, 182(7), 1956-1963 (2000-03-14)
The genes involved in isoprene (2-methyl-1,3-butadiene) utilization in Rhodococcus sp. strain AD45 were cloned and characterized. Sequence analysis of an 8.5-kb DNA fragment showed the presence of 10 genes of which 2 encoded enzymes which were previously found to be
W Dekant et al.
Chemico-biological interactions, 116(1-2), 31-43 (1999-01-07)
Perchloroethene (Per) is a widely used industrial solvent and common environmental contaminant. In rats, long-term inhalation of Per is known to cause a small increase in the incidence of renal tubule cell tumors in males only; renal toxicity is seen
M Arivazhagan et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 79(2), 376-383 (2011-04-07)
The Fourier-transform infrared spectrum of 1,2-dichloro-4-nitrobenzene (DCNB) was recorded in the region 4000-400cm(-1). The Fourier-transform Raman spectrum of DCNB was also recorded in the region 3500-50cm(-1). Quantum chemical calculations of energies, geometrical structure and vibrational wavenumbers of DCNB were carried
V Krishnakumar et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 86, 196-204 (2011-11-23)
The vibrational spectra of 1,2-dichloro-4-nitrobenzene (DCNB) and 2,3,5,6-tetrachloro-1-nitrobenzene (TCNB) were computed using B3LYP methodology with 6-31G* basis set. The solid phase FTIR and FT-Raman spectra were recorded in the region 4000-400 cm(-1) and 4000-50 cm(-1), respectively. A similarity was achieved
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