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4,5,6,7-Tetrabromophenolphthalein - >80.0%(T), high purity , CAS No.13027-28-6

COA

Cas Number: 13027-28-6
Molecular Weight: 633.91
MDL number: MFCD00047314
PubChem CID: 83058

In stock

Item Number

T162326

Grouped product items
SKU	Size	Availability	Price
T162326-200mg	200mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$15.90
T162326-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$58.90
T162326-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$176.90

Discover 4,5,6,7-Tetrabromophenolphthalein by Aladdin Scientific in >80.0%(T) for only $15.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	4,5,6,7-tetrabromo-3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one \| 4,5,6,7-Tetrabromophenolphthalein \| 4,5,6,7-Tetrabromo-3,3-bis(4-hydroxyphenyl)isobenzofuran-1(3H)-one \| GNJLVMKERYSIAI-UHFFFAOYSA-N \| EINECS 235-889-6 \| 4,5,6,7-tetrabromo-3,3-bis(4-hydroxy
Specifications & Purity	≥80%(T)
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzofurans
    - Subclass Benzofuranones

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzofurans
Subclass	Benzofuranones
Intermediate Tree Nodes	Not available
Direct Parent	Benzofuranones
Alternative Parents	Phthalides 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Aryl bromides Vinylogous halides Lactones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Isobenzofuranone - Benzofuranone - Phthalide - Isocoumaran - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Vinylogous halide - Carboxylic acid ester - Lactone - Oxacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organobromide - Organic oxide - Organohalogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as benzofuranones. These are organic compounds containing a benzene ring fused to a furanone.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	4,5,6,7-tetrabromo-3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one
INCHI	InChI=1S/C20H10Br4O4/c21-15-13-14(16(22)18(24)17(15)23)20(28-19(13)27,9-1-5-11(25)6-2-9)10-3-7-12(26)8-4-10/h1-8,25-26H
InChIKey	GNJLVMKERYSIAI-UHFFFAOYSA-N
Smiles	C1=CC(=CC=C1C2(C3=C(C(=C(C(=C3Br)Br)Br)Br)C(=O)O2)C4=CC=C(C=C4)O)O
Isomeric SMILES	C1=CC(=CC=C1C2(C3=C(C(=C(C(=C3Br)Br)Br)Br)C(=O)O2)C4=CC=C(C=C4)O)O
PubChem CID	83058
Molecular Weight	633.91
Reaxy-Rn	356830

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	633.900 g/mol
XLogP3	6.600
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	633.727 Da
Monoisotopic Mass	629.731 Da
Topological Polar Surface Area	66.800 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	567.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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