U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C8H4Cl2O4
Molecular Weight 235.021
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,5-Dichloroterephthalic acid

SMILES

OC(=O)C1=CC(Cl)=C(C=C1Cl)C(O)=O

InChI

InChIKey=LMOSYFZLPBHEOW-UHFFFAOYSA-N
InChI=1S/C8H4Cl2O4/c9-5-1-3(7(11)12)6(10)2-4(5)8(13)14/h1-2H,(H,11,12)(H,13,14)

HIDE SMILES / InChI

Approval Year

Name Type Language
1,4-Benzenedicarboxylic acid, 2,5-dichloro-
Preferred Name English
2,5-Dichloroterephthalic acid
Systematic Name English
Terephthalic acid, 2,5-dichloro-
Systematic Name English
2,5-Dichloro-1,4-benzenedicarboxylic acid
Systematic Name English
AI3-33425
Code English
NSC-59392
Code English
Code System Code Type Description
NSC
59392
Created by admin on Tue Apr 01 20:16:59 GMT 2025 , Edited by admin on Tue Apr 01 20:16:59 GMT 2025
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ECHA (EC/EINECS)
237-454-6
Created by admin on Tue Apr 01 20:16:59 GMT 2025 , Edited by admin on Tue Apr 01 20:16:59 GMT 2025
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PUBCHEM
83739
Created by admin on Tue Apr 01 20:16:59 GMT 2025 , Edited by admin on Tue Apr 01 20:16:59 GMT 2025
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CAS
13799-90-1
Created by admin on Tue Apr 01 20:16:59 GMT 2025 , Edited by admin on Tue Apr 01 20:16:59 GMT 2025
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EPA CompTox
DTXSID3074733
Created by admin on Tue Apr 01 20:16:59 GMT 2025 , Edited by admin on Tue Apr 01 20:16:59 GMT 2025
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FDA UNII
G76YF4P6HM
Created by admin on Tue Apr 01 20:16:59 GMT 2025 , Edited by admin on Tue Apr 01 20:16:59 GMT 2025
PRIMARY