2',4',5',7'-Tetrabromo-4,5,6,7-tetrachloro-3',6'-dihydroxy-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one

Basic Information

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CAS Number

13473-26-2

Molecular Formula

C20H4Br4Cl4O5

Molecular Weight

785.68 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Boiling Point

759.0±60.0 °C at 760 mmHg

Density

2.6±0.1 g/cm3

Flash Point

412.8±32.9 °C

Vapor Pressure

0.0±2.7 mmHg at 25°C

SMILES

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Oc1c(Br)cc2c(c1Br)Oc1c(C32OC(=O)c2c3c(Cl)c(Cl)c(c2Cl)Cl)cc(c(c1Br)O)Br

InChI

InChI=1S/C20H4Br4Cl4O5/c21-5-1-3-17(9(23)15(5)29)32-18-4(2-6(22)16(30)10(18)24)20(3)8-7(19(31)33-20)11(25)13(27)14(28)12(8)26/h1-2,29-30H

InChIKey

ZYIBVBKZZZDFOY-UHFFFAOYSA-N

LogP

9.329399999999998

Topological Polar Surface Area

75.99 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

780

Synonyms & References

English

Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one,2',4',5',7'-tetrabromo-4,5,6,7-tetrachloro-3',6'-dihydroxy-
2',4',5',7'-Tetrabromo-3,4,5,6-tetrachlorofluorescein
2,4,5,7-TETRABROMO-3,4,5,6-TETRACHLOROFLUORESCEIN
Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one,2',4',5',7'-tetrabromo-4,5,6,7-tetrachloro-3',...
RED 27
D&CRED27
D&CREDNO.27
C.I.Solventred48
6’-dihydroxy--tetrachloro-3
Solvent red 48 (C.I. 45410:1)
Tetrabromotetrachlorofluorescein
TETRACHLOROTETRABROMOFLUORESCEIN
2,4,5,7-Tetrabromo-3,4,5,6-tetrachlorofluoresceine
2',4',5',7'-TETRABROMO-3,4,5,6-TETRACHLOROFLUORESC
Phloxine O
Acid Phloxine PB
Phloxine BBN Supra
Japan Red 218
D & C Red no. 27
D&C red no.27
Solvent Red 48
C.I. 45410A
C,I, Solvent Red 48
C.I. Solvent Red 48
D and C Red No. 27
D&C Red 27
2LRS185U6K
CI 45410:1
DSSTox_RID_78862
DSSTox_CID_11089
DSSTox_GSID_31089

MDL Number

MFCD00067282

FAQ

What are the physical and chemical properties of 2',4',5',7'-Tetrabromo-4,5,6,7-tetrachloro-3',6'-dihydroxy-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one (CAS: 13473-26-2)?

2',4',5',7'-Tetrabromo-4,5,6,7-tetrachloro-3',6'-dihydroxy-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one has a molecular weight of approximately 795.8 g/mol. It is a white crystalline solid with poor solubility in water but good solubility in organic solvents. It is highly reactive, especially towards nucleophiles and reducing agents. The compound is stable under normal conditions but can decompose at high temperatures or in the presence of strong reducing agents.

How is 2',4',5',7'-Tetrabromo-4,5,6,7-tetrachloro-3',6'-dihydroxy-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one (CAS: 13473-26-2) typically synthesized?

2',4',5',7'-Tetrabromo-4,5,6,7-tetrachloro-3',6'-dihydroxy-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one is synthesized through a multi-step process involving bromination, chlorination, and hydroxylation reactions. Commonly, the synthesis involves starting materials such as xanthenone, which undergoes bromination and chlorination reactions sequentially, followed by hydroxylation. The reaction conditions include the use of Lewis acids and strong bases, and the process is optimized for high yield and selectivity.

What industries use 2',4',5',7'-Tetrabromo-4,5,6,7-tetrachloro-3',6'-dihydroxy-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one (CAS: 13473-26-2)?

2',4',5',7'-Tetrabromo-4,5,6,7-tetrachloro-3',6'-dihydroxy-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one finds applications in various industries. It is used in the formulation of flame retardants, as a precursor for the synthesis of other brominated and chlorinated compounds, and in the development of sensors and pharmaceuticals. Due to its chemical stability and reactivity, it is also utilized in the production of advanced materials and semiconductors.

What precautions should be taken when handling 2',4',5',7'-Tetrabromo-4,5,6,7-tetrachloro-3',6'-dihydroxy-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one (CAS: 13473-26-2)?

When handling 2',4',5',7'-Tetrabromo-4,5,6,7-tetrachloro-3',6'-dihydroxy-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one, it is essential to use appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. The compound should be handled in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be managed with caution, using absorbent materials and disposing of them according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed safety information and specific handling instructions.