(Q27280855)

4-Hydroxy-2,5,6-trichloroisophthalonitrile (English)

14 October 2016

chemical formula

C₈HCl₃N₂O

1 reference

4-Hydroxy-2,5,6-trichloroisophthalonitrile (English)

14 October 2016

canonical SMILES

C(#N)C1=C(C(=C(C(=C1Cl)C#N)Cl)Cl)O

1 reference

4-Hydroxy-2,5,6-trichloroisophthalonitrile (English)

InChI=1S/C8HCl3N2O/c9-5-3(1-12)6(10)7(11)8(14)4(5)2-13/h14H

14 October 2016

Identifiers

InChI

1 reference

4-Hydroxy-2,5,6-trichloroisophthalonitrile (English)

14 October 2016

2 references

4-Hydroxy-2,5,6-trichloroisophthalonitrile (English)

14 October 2016

ChEBI release 2020-09-01

CAS Registry Number

28343-61-5

2 references

Global Substance Registration System

UNII

IQJ3P52AEE

4-hydroxy-2,5,6-trichloroisophthalonitrile (English)

14 October 2016

https://commonchemistry.cas.org/detail?cas_rn=28343-61-5

9 April 2021

1 reference

4-hydroxychlorothalonil (English)

14 October 2016

2 references

4-Hydroxy-2,5,6-trichloroisophthalonitrile (English)

14 October 2016

ChEBI ID

133542

mapping relation type

exact match

2 references

ChEBI release 2019-10-02

International Chemical Identifier

InChI

InChI=1S/C8HCl3N2O/c9-5-3(1-12)6(10)7(11)8(14)4(5)2-13/h14H

1 reference

CHEMBL3248146 (English)

14 October 2016

2 references

inferred from InChIKey

MSBNK-Athens_Univ-AU232457

1 reference

MassBank accession ID

SM842251

0 references

0 references

MSBNK-Athens_Univ-AU232458

0 references

MSBNK-Athens_Univ-AU232459

0 references

MSBNK-Athens_Univ-AU232460

0 references

SPLASH

splash10-0006-0090000000-d6e8679cb776e852c92f

0 references

DSSTox substance ID

DTXSID90182586

2 references

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

DSSTOX compound identifier

DTXCID30105077

0 references

Human Metabolome Database ID

HMDB0240624

2 references

based on heuristic

inferred from InChIKey

UNII

IQJ3P52AEE

2 references

Global Substance Registration System

UNII

IQJ3P52AEE

4-hydroxy-2,5,6-trichloroisophthalonitrile (English)

14 October 2016