1,2,3,4,7-PENTACHLORODIBENZO-P-DIOXIN

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H3Cl5O2
Molecular Weight	356.416
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1,2,3,4,7-PENTACHLORODIBENZO-P-DIOXIN

Structure Search

SMILES

ClC1=CC2=C(OC3=C(Cl)C(Cl)=C(Cl)C(Cl)=C3O2)C=C1

InChI

InChIKey=WRNGAZFESPEMCN-UHFFFAOYSA-N

InChI=1S/C12H3Cl5O2/c13-4-1-2-5-6(3-4)19-12-10(17)8(15)7(14)9(16)11(12)18-5/h1-3H

HIDE SMILES / InChI

Molecular Formula	C12H3Cl5O2
Molecular Weight	356.416
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

Title	Date	PubMed
Modeling and assaying dioxin-like biological effects for both dioxin-like and certain non-dioxin-like compounds.	2008-03	18065775

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:00:28 GMT 2025` Edited by `admin` on `Mon Mar 31 19:00:28 GMT 2025`
Record UNII	WAL6D1393Q
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1,2,3,4,7-PENTACHLORODIBENZO-P-DIOXIN

Common Name

English

1,2,3,4,7-PECDD

Preferred Name

English

DIBENZO-P-DIOXIN, 1,2,3,4,7-PENTACHLORO-

Common Name

English

DIBENZO(B,E)(1,4)DIOXIN, 1,2,3,4,7-PENTACHLORO-

Systematic Name

English

PCDD 50

Common Name

English

1,2,3,4,7-PENTACHLORODIBENZODIOXIN

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID6074041

Created by admin on Mon Mar 31 19:00:28 GMT 2025 , Edited by admin on Mon Mar 31 19:00:28 GMT 2025

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CAS

39227-61-7

Created by admin on Mon Mar 31 19:00:28 GMT 2025 , Edited by admin on Mon Mar 31 19:00:28 GMT 2025

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FDA UNII

WAL6D1393Q

Created by admin on Mon Mar 31 19:00:28 GMT 2025 , Edited by admin on Mon Mar 31 19:00:28 GMT 2025

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PUBCHEM

38254

Created by admin on Mon Mar 31 19:00:28 GMT 2025 , Edited by admin on Mon Mar 31 19:00:28 GMT 2025

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