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

Basic Information

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CAS Number

72088-94-9

Molecular Formula

C42H24O14

Molecular Weight

752.64 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

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

275 °C (dec.)

Boiling Point

464.9°C (rough estimate)

Density

1.3418 (rough estimate)

Refractive Index

1.6380 (estimate)

SMILES

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C1=CC2=C(C=C1C(=O)O)C3(C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O)OC2=O.C1=CC2=C(C=C1C(=O)O)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O

InChI

InChI=1S/2C21H12O7/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;22-11-2-5-14-17(8-11)27-18-9-12(23)3-6-15(18)21(14)16-7-10(19(24)25)1-4-13(16)20(26)28-21/h2*1-9,22-23H,(H,24,25)

InChIKey

BPVHBBXCESDRKW-UHFFFAOYSA-N

LogP

6.728000000000009

Topological Polar Surface Area

226.57999999999996 Å²

Hydrogen Bond Donor/Acceptor

6 / 14

Complexity

1270

Safety Information

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GHS Hazard Pictograms

H319

Hazard Statement

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Sensitiveness

Sensitive to light and humidity

Synonyms & References

English

SB66580
3',6'-Dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-5-carboxylic acid compound with 3',6'-dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-6-carboxylic acid (1:1)
HY-15940
5(6)-Carboxyfluorescein, BioReagent, suitable for fluorescence, >=95% (HPLC)
3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carboxylic acid;3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid
SCHEMBL20484581
CHEBI:138465
5(6)-carboxyfluorescein
3',6'-Dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid - 3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-6-carboxylic acid (1:1)
F12234
3 inverted exclamation marka,6 inverted exclamation marka-Dihydroxy-3-oxospiro[isobenzofuran-1(3H),9 inverted exclamation marka-[9H]xanthene]-ar-carboxylic acid
5(6)-Carboxyfluorescein, mixture of isomers
SY077031
FT-0616672
3',6'-Dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-5(6)-carboxylic acid
A934075
72088-94-9
5-(and-6)-FAM
5-(and 6)-Carboxyfluorescein
5(6)-FAM
PD017795
MFCD00151081
AS-47129
1171493-85-8
5-(and-6)-carboxyfluorescein
5(6)-Carboxyfluorescein, Dye content 90 %
AKOS025311485
3',6'-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthene]-ar-carboxylic acid
5-(AND-6)-CARBOXYFLUORESCEIN
5(6)-CARBOXYFLUORESCEIN
4(5)-CARBOXYFLUORESCEIN

MDL Number

MFCD00036874

Customs Code

29335995

FAQ

What are the physical and chemical properties of 3',6'-Dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid - 3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-6-carboxylic acid (1:1) (CAS: 72088-94-9)?

The compound has a crystalline form with a molecular weight of approximately 524.3 g/mol. It is poorly soluble in water but soluble in organic solvents like ethanol and acetone. It is reactive towards acids and bases. The compound is stable under normal conditions but can degrade under strongly acidic or basic conditions.

How is 3',6'-Dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid - 3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-6-carboxylic acid (1:1) (CAS: 72088-94-9) typically synthesized?

The compound is typically synthesized via condensation reactions involving benzoic acid derivatives and xanthone precursors. Specific conditions include the use of a Lewis acid catalyst, such as aluminum trichloride, and a suitable organic solvent. The synthesis yields a mixture of isomers, with selectivity and yield varying based on the reaction conditions.

What industries use 3',6'-Dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid - 3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-6-carboxylic acid (1:1) (CAS: 72088-94-9)?

This compound is used in the pharmaceutical industry for drug development due to its unique chemical structure. It also finds applications in the production of sensors and semiconductors due to its optical and electronic properties.

What precautions should be taken when handling 3',6'-Dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid - 3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-6-carboxylic acid (1:1) (CAS: 72088-94-9)?

When handling this compound, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a laboratory coat. Work should be conducted in a well-ventilated area or fume hood to minimize inhalation risks. Spills should be cleaned up using appropriate absorbent materials, and the area should be thoroughly rinsed with water. Consult the Material Safety Data Sheet (MSDS) for detailed safety information.