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Details

Stereochemistry ACHIRAL
Molecular Formula C7H5Cl3
Molecular Weight 195.474
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,4,5-TRICHLOROTOLUENE

SMILES

CC1=CC(Cl)=C(Cl)C=C1Cl

InChI

InChIKey=ZCXHZKNWIYVQNC-UHFFFAOYSA-N
InChI=1S/C7H5Cl3/c1-4-2-6(9)7(10)3-5(4)8/h2-3H,1H3

HIDE SMILES / InChI

Molecular Formula C7H5Cl3
Molecular Weight 195.474
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Rational engineering of the regioselectivity of TecA tetrachlorobenzene dioxygenase for the transformation of chlorinated toluenes.
2003-04
The contribution of 2,3,5-trichlorophenyl methyl sulfone, a metabolite of 1,2,4-trichlorobenzene, to the delta-aminolevulinic acid synthetase induction by 1,2,4-trichlorobenzene in rat liver.
2002-04
Substance Class Chemical
Created
by admin
on Mon Mar 31 19:37:52 GMT 2025
Edited
by admin
on Mon Mar 31 19:37:52 GMT 2025
Record UNII
CN6GE686J2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-16047
Preferred Name English
2,4,5-TRICHLOROTOLUENE
Systematic Name English
TOLUENE, 2,4,5-TRICHLORO-
Systematic Name English
BENZENE, 1,2,4-TRICHLORO-5-METHYL-
Systematic Name English
Code System Code Type Description
NSC
16047
Created by admin on Mon Mar 31 19:37:52 GMT 2025 , Edited by admin on Mon Mar 31 19:37:52 GMT 2025
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EPA CompTox
DTXSID8064434
Created by admin on Mon Mar 31 19:37:52 GMT 2025 , Edited by admin on Mon Mar 31 19:37:52 GMT 2025
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FDA UNII
CN6GE686J2
Created by admin on Mon Mar 31 19:37:52 GMT 2025 , Edited by admin on Mon Mar 31 19:37:52 GMT 2025
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PUBCHEM
23128
Created by admin on Mon Mar 31 19:37:52 GMT 2025 , Edited by admin on Mon Mar 31 19:37:52 GMT 2025
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ECHA (EC/EINECS)
229-644-2
Created by admin on Mon Mar 31 19:37:52 GMT 2025 , Edited by admin on Mon Mar 31 19:37:52 GMT 2025
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CAS
6639-30-1
Created by admin on Mon Mar 31 19:37:52 GMT 2025 , Edited by admin on Mon Mar 31 19:37:52 GMT 2025
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