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Details

Stereochemistry ACHIRAL
Molecular Formula C6H4Cl2
Molecular Weight 147.002
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of O-DICHLOROBENZENE

SMILES

ClC1=C(Cl)C=CC=C1

InChI

InChIKey=RFFLAFLAYFXFSW-UHFFFAOYSA-N
InChI=1S/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H

HIDE SMILES / InChI

Molecular Formula C6H4Cl2
Molecular Weight 147.002
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

1,2-Dichlorobenzene is a derivative of benzene, having two chlorines attached to adjacent carbon atoms. The major use of 1,2-dichlorobenzene is as an intermediate in the synthesis of several organic compounds (e.g. 3,4-dichloroaniline) and in the syntheses of the herbicides. It is used as an industrial solvent for toluene diisocyanate, an additive to degreasing agents, a heat exchange medium, a deodorant for garbage and sewage, an ingredient in paint removers, an engine cleaner and de-inking solvent, and a solvent and intermediate in dye manufacture 1,2-Dichlorobenzene is also used as an insecticide and a fumigant to control peach tree borers, bark beetles, grubs, and termites and to kill mites and other insects in poultry houses and animal sleeping quarters.

CNS Activity

Curator's Comment: Known to be CNS penetrant in rats. Human data not available.

Approval Year

Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
PubMed

PubMed

TitleDatePubMed
Differential protooncogene expression in Sprague Dawley and Fischer 344 rats during 1,2-dichlorobenzene-induced hepatocellular regeneration.
1999 Nov 29
Enhancement of biodegradability of polychlorinated dibenzo-p-dioxins.
2001
Complete prediction of the 1H NMR spectrum of organic molecules by DFT calculations of chemical shifts and spin-spin coupling constants.
2001 Apr 17
Solvent dependence of the structure and magnetic ordering of ferrimagnetic manganese(III) meso-tetraphenylporphyrin tetracyanoethenide, [MnTPP]+[TCNE]*-.
2001 Apr 9
Investigation of the photocatalytic activity of TiO2--polyoxometalate systems.
2001 Aug 1
Sorptive interactions between VOCs and indoor materials.
2001 Dec
Time-resolved total internal reflection fluorometry study on polarity at a liquid/liquid interface.
2001 Jun 1
Hydration to benzo-15-crown-5, benzo-18-crown-6 and the benzo-18-crown-6-potassium ion complex in the low-polar organic solvents.
2001 Mar
A catalytic-enantioselective entry to planar chiral pi-complexes: enantioselective methoxycarbonylation of 1,2-dichlorobenzene-Cr(CO)(3).
2001 May 31
Structure-affinity relationship study on N-[4-(4-arylpiperazin-1-yl)butyl]arylcarboxamides as potent and selective dopamine D(3) receptor ligands.
2002 Dec 19
Molecular triads composed of ferrocene, C60, and nitroaromatic entities: electrochemical, computational, and photochemical investigations.
2002 Dec 27
Rapid parallel synthesis of polymer-bound enones utilizing microwave-assisted solid-phase chemistry.
2002 Mar-Apr
Volatile organic compounds concentrations in residential indoor and outdoor and its personal exposure in Korea.
2003 Apr
Studies on intra-supramolecular and intermolecular electron-transfer processes between zinc naphthalocyanine and imidazole-appended fullerene.
2003 Apr 14
Aerobic oxidation of methyl p-tolyl sulfide catalyzed by a remarkably labile heteroscorpionate RuII-aqua complex, fac-[RuII(H2O)(dpp)(tppm)]2+.
2003 Jan 15
Crystal structure and magnetic properties of an ionic C60 complex with decamethylcobaltocene: (Cp*2Co)2C60(C6H4Cl2, C6H5CN)2. Singlet-triplet transitions in the C60(2-) anion.
2003 Jun 16
Two metal centers bridging two C60 cages as a wide passage for efficient interfullerene electronic interaction.
2003 Nov 19
The biodegradation of 1,3-dichlorobenzene by an adapted strain Bacillus cereus PF-11 derived from town-gas industrial effluent.
2003 Sep
[Hygienic standards of the occupational air quality established by the Experts on Chemical Agents, 2002].
2004
Turbulence effects on volatilization rates of liquids and solutes.
2004 Aug 15
Unexpected change in charge transfer behavior in a cobalt(II) porphyrin-fullerene conjugate that stabilizes radical ion pair states.
2004 Aug 25
Analysis of BTEX and other substituted benzenes in water using headspace SPME-GC-FID: method validation.
2004 Jan
Analytical method for the quantitation of sertraline hydrochloride stereoisomers by electrokinetic chromatography.
2004 Oct 15
Determination of the absolute configuration and solution conformation of the antifungal agents ketoconazole, itraconazole, and miconazole with vibrational circular dichroism.
2005
Programmed hyperhelical supramolecular assembly of nickel phthalocyanine bearing enantiopure 1-(p-tolyl)ethylaminocarbonyl groups.
2005 Apr 26
Reply to the comments by Coenraads and Tang 'Chloracne due to o-dichlorobenzene in a laboratory worker', Contact Dermatitis 2005: 52: 108.
2005 Jul
Sorption kinetics of organic contaminants by sandy aquifer and its kerogen isolate.
2005 Mar 15
Optimizing phenylethylphosphonamidates for the inhibition of prostate-specific membrane antigen.
2006 Jan 1
Patents

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
Unknown
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:18:20 UTC 2023
Edited
by admin
on Fri Dec 15 15:18:20 UTC 2023
Record UNII
6PJ93I88XL
Record Status Validated (UNII)
Record Version
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Name Type Language
O-DICHLOROBENZENE
MI  
Common Name English
ORTHODICHLOROBENZENE [MART.]
Common Name English
ORTHO-DICHLOROBENZENE [HSDB]
Common Name English
O-DICHLOROBENZENE [MI]
Common Name English
1,2-DICHLOROBENZENE
Systematic Name English
ORTHO-DICHLOROBENZENE [IARC]
Common Name English
ORTHODICHLOROBENZENE
MART.  
Systematic Name English
DICHLOROBENZENE, O-
Common Name English
NSC-60644
Code English
Classification Tree Code System Code
EPA PESTICIDE CODE 59401
Created by admin on Fri Dec 15 15:18:20 UTC 2023 , Edited by admin on Fri Dec 15 15:18:20 UTC 2023
Code System Code Type Description
CHEBI
35290
Created by admin on Fri Dec 15 15:18:20 UTC 2023 , Edited by admin on Fri Dec 15 15:18:20 UTC 2023
PRIMARY
SMS_ID
100000139979
Created by admin on Fri Dec 15 15:18:20 UTC 2023 , Edited by admin on Fri Dec 15 15:18:20 UTC 2023
PRIMARY
MESH
C004726
Created by admin on Fri Dec 15 15:18:20 UTC 2023 , Edited by admin on Fri Dec 15 15:18:20 UTC 2023
PRIMARY
HSDB
521
Created by admin on Fri Dec 15 15:18:20 UTC 2023 , Edited by admin on Fri Dec 15 15:18:20 UTC 2023
PRIMARY
PUBCHEM
7239
Created by admin on Fri Dec 15 15:18:20 UTC 2023 , Edited by admin on Fri Dec 15 15:18:20 UTC 2023
PRIMARY
DRUG BANK
DB13963
Created by admin on Fri Dec 15 15:18:20 UTC 2023 , Edited by admin on Fri Dec 15 15:18:20 UTC 2023
PRIMARY
ECHA (EC/EINECS)
202-425-9
Created by admin on Fri Dec 15 15:18:20 UTC 2023 , Edited by admin on Fri Dec 15 15:18:20 UTC 2023
PRIMARY
WIKIPEDIA
1,2-DICHLOROBENZENE
Created by admin on Fri Dec 15 15:18:20 UTC 2023 , Edited by admin on Fri Dec 15 15:18:20 UTC 2023
PRIMARY
ALANWOOD
o-dichlorobenzene
Created by admin on Fri Dec 15 15:18:20 UTC 2023 , Edited by admin on Fri Dec 15 15:18:20 UTC 2023
PRIMARY
MERCK INDEX
m4335
Created by admin on Fri Dec 15 15:18:20 UTC 2023 , Edited by admin on Fri Dec 15 15:18:20 UTC 2023
PRIMARY Merck Index
EPA CompTox
DTXSID6020430
Created by admin on Fri Dec 15 15:18:20 UTC 2023 , Edited by admin on Fri Dec 15 15:18:20 UTC 2023
PRIMARY
CAS
95-50-1
Created by admin on Fri Dec 15 15:18:20 UTC 2023 , Edited by admin on Fri Dec 15 15:18:20 UTC 2023
PRIMARY
FDA UNII
6PJ93I88XL
Created by admin on Fri Dec 15 15:18:20 UTC 2023 , Edited by admin on Fri Dec 15 15:18:20 UTC 2023
PRIMARY
NSC
60644
Created by admin on Fri Dec 15 15:18:20 UTC 2023 , Edited by admin on Fri Dec 15 15:18:20 UTC 2023
PRIMARY
EVMPD
SUB89004
Created by admin on Fri Dec 15 15:18:20 UTC 2023 , Edited by admin on Fri Dec 15 15:18:20 UTC 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY