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Dibromofluorescein (contains Mono-, Tri- and Tetra-) , CAS No.596-03-2

2 Citations

COA

Cas Number: 596-03-2
Molecular Weight: 490.1
Beilstein Registry Number: 19228
PubChem CID: 11689
PubChem SID: 504752178

In stock

Item Number

D573365

Grouped product items
SKU	Size	Availability	Price	Qty
D573365-5g	5g	3	$27.90
D573365-25g	25g	5	$94.90

Basic Description

Synonyms	4',5'-Dibromofluorescein \| 596-03-2 \| Solvent Red 72 \| Eosinic acid \| C.I. Solvent Red 72 \| Japan Orange 201 \| 4,5-Dibromofluorescein \| D&C Orange No. 5 \| 4',5'-Dibromofluororescein \| C.I. 45370:1 \| FLUORESCEIN, 4',5'-DIBROMO- \| 4',5'-dibromo-3',6'-dihydroxyspiro[2-benzofuran-
Shipped In	Normal
Product Description	Product introduction: Contains mono-, tri- and tetrabromofluorescein, average composition is dibromo.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzopyrans
    - Subclass 1-benzopyrans
      - Level5 Dibenzopyrans
        Level6 Xanthenes

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzopyrans
Subclass	1-benzopyrans
Intermediate Tree Nodes	Dibenzopyrans
Direct Parent	Xanthenes
Alternative Parents	Diarylethers Phthalides Benzofuranones Isobenzofurans O-bromophenols 1-hydroxy-2-unsubstituted benzenoids Aryl bromides Lactones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Xanthene - Diaryl ether - Phthalide - Benzofuranone - Isobenzofuranone - Isobenzofuran - Isocoumaran - 2-bromophenol - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Aryl bromide - Aryl halide - Lactone - Carboxylic acid ester - Oxacycle - Ether - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxygen compound - Organohalogen compound - Organobromide - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene rings joined to each other by a pyran ring.
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

Pubchem Sid	504752178
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504752178
IUPAC Name	4',5'-dibromo-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
INCHI	InChI=1S/C20H10Br2O5/c21-15-13(23)7-5-11-17(15)26-18-12(6-8-14(24)16(18)22)20(11)10-4-2-1-3-9(10)19(25)27-20/h1-8,23-24H
InChIKey	ZDTNHRWWURISAA-UHFFFAOYSA-N
Smiles	C1=CC=C2C(=C1)C(=O)OC23C4=C(C(=C(C=C4)O)Br)OC5=C3C=CC(=C5Br)O
Isomeric SMILES	C1=CC=C2C(=C1)C(=O)OC23C4=C(C(=C(C=C4)O)Br)OC5=C3C=CC(=C5Br)O
RTECS	LM5200000
Molecular Weight	490.1
Beilstein	19228
Reaxy-Rn	57189
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=57189&ln=

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4 results found

Lot Number	Certificate Type	Date	Item
F2301987	Certificate of Analysis	Apr 07, 2023	D573365
F2301980	Certificate of Analysis	Apr 07, 2023	D573365
F2301979	Certificate of Analysis	Apr 07, 2023	D573365
F2301977	Certificate of Analysis	Apr 07, 2023	D573365

Chemical and Physical Properties

Solubility	Solubility in water: Slightly soluble Solubility in other solvents: Soluble in ethanol and acetone
Melt Point(°C)	270-273℃
Molecular Weight	490.100 g/mol
XLogP3	4.800
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	489.887 Da
Monoisotopic Mass	487.889 Da
Topological Polar Surface Area	76.000 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	585.000
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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