DIQUAT BIS(TRIBROMIDE)

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H12N2.2Br3
Molecular Weight	663.661
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DIQUAT BIS(TRIBROMIDE)

Structure Search

SMILES

Br[Br-]Br.Br[Br-]Br.C1C[N+]2=C(C=CC=C2)C3=[N+]1C=CC=C3

InChI

InChIKey=UAEHZCFYCJSIIF-UHFFFAOYSA-N

InChI=1S/C12H12N2.2Br3/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1;2*1-3-2/h1-8H,9-10H2;;/q+2;2*-1

HIDE SMILES / InChI

Molecular Formula	Br3
Molecular Weight	239.712
Charge	0
Count

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

Molecular Formula	C12H12N2
Molecular Weight	184.2371
Charge	2
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:53:51 GMT 2025` Edited by `admin` on `Mon Mar 31 21:53:51 GMT 2025`
Record UNII	2I01472TPG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DIQUAT BIS(TRIBROMIDE)

Common Name

English

DIPYRIDO(1,2-A:2',1'-C)PYRAZINEDIIUM, 6,7-DIHYDRO-, BIS(TRIBROMIDE)

Preferred Name

English

Classification Tree Code System Code

EPA PESTICIDE CODE

402400

Created by admin on Mon Mar 31 21:53:51 GMT 2025 , Edited by admin on Mon Mar 31 21:53:51 GMT 2025

Code System Code Type Description

CAS

27041-82-3

Created by admin on Mon Mar 31 21:53:51 GMT 2025 , Edited by admin on Mon Mar 31 21:53:51 GMT 2025

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FDA UNII

2I01472TPG

Created by admin on Mon Mar 31 21:53:51 GMT 2025 , Edited by admin on Mon Mar 31 21:53:51 GMT 2025

PRIMARY

EPA CompTox

DTXSID0058350

Created by admin on Mon Mar 31 21:53:51 GMT 2025 , Edited by admin on Mon Mar 31 21:53:51 GMT 2025

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PUBCHEM

76969216

Created by admin on Mon Mar 31 21:53:51 GMT 2025 , Edited by admin on Mon Mar 31 21:53:51 GMT 2025

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Related Record Type Details


					5L1SB9421A

TRIBROMIDE ANION

PARENT -> SALT/SOLVATE