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

6262-21-1

Molecular Formula

C20H8Cl4O5

Molecular Weight

470.09 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

Melting Point

304℃

Boiling Point

752.3±60.0 °C at 760 mmHg

Density

1.9±0.1 g/cm3

Flash Point

408.8±32.9 °C

Vapor Pressure

0.0±2.6 mmHg at 25°C

SMILES

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C1=CC2=C(C=C1O)OC3=C(C24C5=C(C(=C(C(=C5Cl)Cl)Cl)Cl)C(=O)O4)C=CC(=C3)O

InChI

InChI=1S/C20H8Cl4O5/c21-15-13-14(16(22)18(24)17(15)23)20(29-19(13)27)9-3-1-7(25)5-11(9)28-12-6-8(26)2-4-10(12)20/h1-6,25-26H

InChIKey

QCPFFGGFHNZBEP-UHFFFAOYSA-N

LogP

6.2794000000000025

Topological Polar Surface Area

75.99000000000001 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

653

Synonyms & References

English

QCPFFGGFHNZBEP-UHFFFAOYSA-N
InChI=1/C20H8Cl4O5/c21-15-13-14(16(22)18(24)17(15)23)20(29-19(13)27)9-3-1-7(25)5-11(9)28-12-6-8(26)2-4-10(12)20/h1-6,25-26H
BENZOIC ACID, 2,3,4,5-TETRACHLORO-6-(6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)-
NSC726280
4,5,6,7-Tetrachloro-3',6'-dihydroxyspiro(isobenzofuran-1(3H),9'-(9H)xanthene)-3-one
EINECS 228-413-3
4,6,7-tetrachloro-fluorescein
26761-84-2
3,4,5,6-Tetrchlorofluorescein
CS-0373763
NSC 726280
Fluorescein, 4,5,6,7-tetrachloro-
Q27285428
Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 4,5,6,7-tetrachloro-3',6'-dihydroxy-
O73WZT10BY
6262-21-1
MFCD00010030
4,5,6,7-tetrachloro-3',6'-dihydroxy-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one
4,5,6,7-tetrachloro-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
3,4,5,6-Tetrachlorofluorescein
Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, tetrachloro-3',6'-dihydroxy-
Tetrachlorofluorescein
NS00003996
Fluorescein, tetrachloro-
3',4',5',6'-TETRACHLOROFLUORESCEIN
4,5,6,7-tetrachloro-3',6'-dihydroxy-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one
D92295
4,6,7-tetrachloro-3',6'-dihydroxyspiro[isobenzofuran-1(3H),9'-9[H]xanthene]-3-one
SCHEMBL134733
QCPFFGGFHNZBEP-UHFFFAOYSA-
UNII-O73WZT10BY

MDL Number

MFCD00010030

FAQ

What is 4,5,6,7-Tetrachloro-3',6'-dihydroxy-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one (CAS: 6262-21-1)?

4,5,6,7-Tetrachloro-3',6'-dihydroxy-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one (CAS: 6262-21-1) is a complex organic compound with a spiro structure, featuring four chlorine atoms and hydroxyl groups. It is a derivative of benzofuran and xanthenone, known for its unique chemical properties and potential applications in various fields.

What are the main uses of 4,5,6,7-Tetrachloro-3',6'-dihydroxy-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one (CAS: 6262-21-1)?

4,5,6,7-Tetrachloro-3',6'-dihydroxy-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one (CAS: 6262-21-1) is primarily used in pharmaceutical research for its potential as a precursor in the synthesis of bioactive compounds. It also has potential applications in material science and as a reagent in organic synthesis due to its unique structural features.

Is 4,5,6,7-Tetrachloro-3',6'-dihydroxy-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one (CAS: 6262-21-1) safe?

4,5,6,7-Tetrachloro-3',6'-dihydroxy-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one (CAS: 6262-21-1) requires proper handling and storage to ensure safety. It is not classified as a hazardous material, but it should be used with caution due to its chemical structure. Adequate ventilation and protective gear are recommended to prevent inhalation and skin contact.

How should 4,5,6,7-Tetrachloro-3',6'-dihydroxy-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one (CAS: 6262-21-1) be stored?

4,5,6,7-Tetrachloro-3',6'-dihydroxy-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one (CAS: 6262-21-1) should be stored in a cool, dry place away from direct sunlight and moisture. It is recommended to keep it in a tightly sealed container to prevent degradation. Storage should be carried out in a well-ventilated area and under controlled conditions to ensure safety and stability.