2,3,4,4',5-PENTACHLOROBIPHENYL

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H5Cl5
Molecular Weight	326.433
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2,3,4,4',5-PENTACHLOROBIPHENYL

Structure Search

SMILES

ClC1=CC=C(C=C1)C2=C(Cl)C(Cl)=C(Cl)C(Cl)=C2

InChI

InChIKey=SXZSFWHOSHAKMN-UHFFFAOYSA-N

InChI=1S/C12H5Cl5/c13-7-3-1-6(2-4-7)8-5-9(14)11(16)12(17)10(8)15/h1-5H

HIDE SMILES / InChI

Molecular Formula	C12H5Cl5
Molecular Weight	326.433
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
Relative potencies of PAHs and PCBs based on the response of human cells.	1999 Mar	21781905
Screening of 397 chemicals and development of a quantitative structure--activity relationship model for androgen receptor antagonism.	2008 Apr	18324785

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:03:57 GMT 2023` Edited by `admin` on `Sat Dec 16 11:03:57 GMT 2023`
Record UNII	86S23H0DSX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2,3,4,4',5-PENTACHLOROBIPHENYL

Systematic Name

English

2,3,4,5,4'-PENTACHLOROBIPHENYL

Systematic Name

English

PCB 114

Common Name

English

1,1'-BIPHENYL, 2,3,4,4',5-PENTACHLORO-

Systematic Name

English

4'-CHLORO-2,3,4,5-TETRACHLOROBIPHENYL

Systematic Name

English

Code System Code Type Description

CAS

74472-37-0

Created by admin on Sat Dec 16 11:03:57 GMT 2023 , Edited by admin on Sat Dec 16 11:03:57 GMT 2023

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EPA CompTox

DTXSID9074226

Created by admin on Sat Dec 16 11:03:57 GMT 2023 , Edited by admin on Sat Dec 16 11:03:57 GMT 2023

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PUBCHEM

53036

Created by admin on Sat Dec 16 11:03:57 GMT 2023 , Edited by admin on Sat Dec 16 11:03:57 GMT 2023

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FDA UNII

86S23H0DSX

Created by admin on Sat Dec 16 11:03:57 GMT 2023 , Edited by admin on Sat Dec 16 11:03:57 GMT 2023

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