3,3',4,4',5,5'-hexachlorobiphenyl (Q22137042)

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chemical compound

• 3,4,5,3',4',5'-hexa coplanar polychlorinated biphenyl
• PCB 169
• 3,4,5,3',4',5'-hexachlorobiphenyl

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Language	Label	Description	Also known as
English	3,3',4,4',5,5'-hexachlorobiphenyl	chemical compound	3,4,5,3',4',5'-hexa coplanar polychlorinated biphenyl PCB 169 3,4,5,3',4',5'-hexachlorobiphenyl

Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

0 references

chemical structure

3,3',4,4',5,5'-hexachlorobiphenyl.svg
555 × 310; 13 KB

0 references

mass

359.841±0 dalton

1 reference

stated in

PubChem

PubChem CID

36231

language of work or name

English

title

3,3',4,4',5,5'-Hexachlorobiphenyl (English)

retrieved

9 October 2016

chemical formula

C₁₂H₄Cl₆

1 reference

stated in

PubChem

PubChem CID

36231

language of work or name

English

title

3,3',4,4',5,5'-Hexachlorobiphenyl (English)

retrieved

19 November 2016

canonical SMILES

C1=C(C=C(C(=C1Cl)Cl)Cl)C2=CC(=C(C(=C2)Cl)Cl)Cl

1 reference

stated in

PubChem

PubChem CID

36231

language of work or name

English

title

3,3',4,4',5,5'-Hexachlorobiphenyl (English)

retrieved

19 November 2016

Identifiers

InChI

InChI=1S/C12H4Cl6/c13-7-1-5(2-8(14)11(7)17)6-3-9(15)12(18)10(16)4-6/h1-4H

1 reference

stated in

PubChem

PubChem CID

36231

language of work or name

English

title

3,3',4,4',5,5'-Hexachlorobiphenyl (English)

retrieved

19 November 2016

InChIKey

ZHLICBPIXDOFFG-UHFFFAOYSA-N

2 references

stated in

PubChem

PubChem CID

36231

language of work or name

English

title

3,3',4,4',5,5'-Hexachlorobiphenyl (English)

retrieved

19 November 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

32774-16-6

3 references

stated in

Global Substance Registration System

UNII

T2P1WH546D

language of work or name

English

title

3,3',4,4',5,5'-hexachlorobiphenyl (English)

retrieved

19 November 2016

stated in

ChemIDplus

reference URL

https://chem.nlm.nih.gov/chemidplus/rn/32774-16-6

InChIKey

ZHLICBPIXDOFFG-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

10 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=32774-16-6

ChemSpider ID

33316

1 reference

stated in

ChemSpider

ChemSpider ID

33316

language of work or name

English

title

3,3',4,4',5,5'-Hexachlorobiphenyl (English)

retrieved

9 October 2016

PubChem CID

36231

1 reference

stated in

PubChem

PubChem CID

36231

language of work or name

English

title

3,3',4,4',5,5'-Hexachlorobiphenyl (English)

retrieved

19 November 2016

ChEBI ID

81517

mapping relation type

exact match

1 reference

stated in

ChEMBL

ChEMBL ID

CHEMBL14658

language of work or name

English

title

CHEMBL14658 (English)

retrieved

19 November 2016

ChEMBL ID

CHEMBL14658

1 reference

stated in

ChEMBL

ChEMBL ID

CHEMBL14658

language of work or name

English

title

CHEMBL14658 (English)

retrieved

19 November 2016

UniChem compound ID

569935

1 reference

stated in

UniChem

HSDB ID

3948

1 reference

stated in

Hazardous Substances Data Bank

HSDB ID

3948

publication date

28 October 2019

title

3,3',4,4',5,5'-HEXACHLOROBIPHENYL (English)

retrieved

10 May 2021

DSSTox substance ID

DTXSID2038314

1 reference

stated in

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

DSSTOX compound identifier

DTXCID404267

0 references

EC number

682-345-2

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.207.579

retrieved

27 December 2018

title

[No public or meaningful name is available] (English)

quotation

CAS no.: 32774-16-6 (English)

ECHA Substance Infocard ID

100.207.579

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.207.579

retrieved

27 December 2018

title

[No public or meaningful name is available] (English)

quotation

CAS no.: 32774-16-6 (English)

Human Metabolome Database ID

HMDB0246011

1 reference

based on heuristic

inferred from InChIKey

UNII

T2P1WH546D

1 reference

stated in

Global Substance Registration System

UNII

T2P1WH546D

language of work or name

English

title

3,3',4,4',5,5'-hexachlorobiphenyl (English)

retrieved

19 November 2016

Probes And Drugs ID

PD144580

0 references

KEGG ID

C18115

1 reference

stated in

ChEBI

ChEBI ID

81517

language of work or name

English

title

3,4,5,3',4',5'-Hexachlorobiphenyl (English)

retrieved

9 October 2016

 

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Wiktionary(0 entries)

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