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Details

Stereochemistry ACHIRAL
Molecular Formula C19H10Br2Cl2O5S
Molecular Weight 581.059
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Bromochlorophenol blue

SMILES

OC1=C(Br)C=C(C=C1Cl)C2(OS(=O)(=O)C3=CC=CC=C23)C4=CC(Br)=C(O)C(Cl)=C4

InChI

InChIKey=MDGFKZKMIQQRPU-UHFFFAOYSA-N
InChI=1S/C19H10Br2Cl2O5S/c20-12-5-9(7-14(22)17(12)24)19(10-6-13(21)18(25)15(23)8-10)11-3-1-2-4-16(11)29(26,27)28-19/h1-8,24-25H

HIDE SMILES / InChI

Molecular Formula C19H10Br2Cl2O5S
Molecular Weight 581.059
Charge 0
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 Sat Dec 16 12:17:37 GMT 2023
Edited
by admin
on Sat Dec 16 12:17:37 GMT 2023
Record UNII
QX9KKY3SWP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Bromochlorophenol blue
Common Name English
Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis(2-bromo-6-chloro-, S,S-dioxide
Systematic Name English
4,4'-(3H-2,1-Benzoxathiol-3-ylidene)bis(2-bromo-6-chlorophenol) S,S-dioxide
Systematic Name English
NSC-7816
Code English
4,4′-(1,1-Dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2-bromo-6-chlorophenol]
Systematic Name English
Phenol, 4,4′-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2-bromo-6-chloro-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID00180230
Created by admin on Sat Dec 16 12:17:37 GMT 2023 , Edited by admin on Sat Dec 16 12:17:37 GMT 2023
PRIMARY
CAS
2553-71-1
Created by admin on Sat Dec 16 12:17:37 GMT 2023 , Edited by admin on Sat Dec 16 12:17:37 GMT 2023
PRIMARY
FDA UNII
QX9KKY3SWP
Created by admin on Sat Dec 16 12:17:37 GMT 2023 , Edited by admin on Sat Dec 16 12:17:37 GMT 2023
PRIMARY
ECHA (EC/EINECS)
219-861-0
Created by admin on Sat Dec 16 12:17:37 GMT 2023 , Edited by admin on Sat Dec 16 12:17:37 GMT 2023
PRIMARY
PUBCHEM
73120
Created by admin on Sat Dec 16 12:17:37 GMT 2023 , Edited by admin on Sat Dec 16 12:17:37 GMT 2023
PRIMARY
NSC
7816
Created by admin on Sat Dec 16 12:17:37 GMT 2023 , Edited by admin on Sat Dec 16 12:17:37 GMT 2023
PRIMARY
Related Record Type Details
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