3',6'-Dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid

Basic Information

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CAS Number

76823-03-5

Molecular Formula

C21H12O7

Molecular Weight

376.32 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

Basic Physical Properties

Melting Point

368-372°C

Boiling Point

725.2°C at 760 mmHg

Density

1.7300

Flash Point

266.9±26.4 °C

Solubility

DMF: soluble

Refractive Index

1.816

SMILES

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C1=CC2=C(C=C1C(=O)O)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O

InChI

InChI=1S/C21H12O7/c22-11-2-5-15-17(8-11)27-18-9-12(23)3-6-16(18)21(15)14-4-1-10(19(24)25)7-13(14)20(26)28-21/h1-9,22-23H,(H,24,25)

InChIKey

NJYVEMPWNAYQQN-UHFFFAOYSA-N

LogP

3.3640000000000017

pKa

3.3, 4.6, 6.4, 7.0(at 25℃)

Topological Polar Surface Area

113.29 Å²

Hydrogen Bond Donor/Acceptor

3 / 7

Complexity

637

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

PD012213
5-Carboxyfluorescein; 3',6'-Dihydroxy-3-oxo-spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-5-carboxylic acid
UNII-AB2MM66GSF
4-carboxyfluorescein
AC-32459
3',6'-Dihydroxy-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-5-carboxylic acid
BCP22613
J-100059
C2477
Q27122687
SY057359
5 - FAM
4(5)-Carboxyfluorescein
HY-66022
DTXSID30227642
5(6)-carboxyfluorescein, mixed isomers
BIDD:GT0758
3',6'-Dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-5-carboxylic acid
Spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-5-carboxylicacid, 3',6'-dihydroxy-3-oxo-
3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid
3',6'-DIHYDROXY-3-OXOSPIRO(ISOBENZOFURAN-1(3H),9'-(9H)XANTHENE)-5-CARBOXYLIC ACID
Z1139186537
76823-03-5
5-Carboxyfluorescein, BioReagent, suitable for fluorescence, >=95% (HPLC)
5-Carboxyfluorescein (Technical Grade)
BP-30031
SCHEMBL20095
5-Carboxyfluorescein
Spiro(isobenzofuran-1(3H),9'-(9H)xanthene)-5-carboxylic acid, 3',6-dihydroxy-3-oxo-
AKOS015901359
3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid

MDL Number

MFCD00036874

Customs Code

2932999099

FAQ

What is 3',6'-Dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid (CAS: 76823-03-5)?

3',6'-Dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid (CAS: 76823-03-5) is a complex organic compound belonging to the class of spiro compounds. It contains a benzofuran ring fused to a xanthene ring and is characterized by hydroxyl and carboxylic acid functional groups. This compound is known for its potential biological activity and is used in various scientific studies.

What are the main uses of 3',6'-Dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid (CAS: 76823-03-5)?

This compound is primarily used in pharmaceutical research for its potential pharmacological properties, including antioxidant and anti-inflammatory effects. It also finds applications in chemical synthesis and as a research tool in molecular biology and medicinal chemistry due to its structural complexity and reactivity.

Is 3',6'-Dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid (CAS: 76823-03-5) safe?

The safety of 3',6'-Dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid (CAS: 76823-03-5) depends on its specific application and exposure conditions. As a research compound, it should be handled with care, following standard laboratory safety protocols. Proper protective equipment, such as gloves and goggles, is recommended to minimize risk during handling.

How should 3',6'-Dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid (CAS: 76823-03-5) be stored?

3',6'-Dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid (CAS: 76823-03-5) should be stored in a cool, dry, and dark place, preferably at 2-8°C. It is sensitive to moisture and light, so it should be kept in a sealed container away from direct sunlight. Maintaining proper storage conditions is essential to ensure its stability and effectiveness.