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

Basic Information

View in Editor

CAS Number

79955-27-4

Molecular Formula

C25H16O9

Molecular Weight

460.39 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

>250°C

Boiling Point

693.1±55.0 °C at 760 mmHg

Flash Point

241.9±25.0 °C

Solubility

DMSO: soluble

SMILES

View in Editor

CC(=O)OC1=CC2=C(C=C1)C3(C4=C(C=C(C=C4)C(=O)O)C(=O)O3)C5=C(O2)C=C(C=C5)OC(=O)C

InChI

InChI=1S/C25H16O9/c1-12(26)31-15-4-7-19-21(10-15)33-22-11-16(32-13(2)27)5-8-20(22)25(19)18-6-3-14(23(28)29)9-17(18)24(30)34-25/h3-11H,1-2H3,(H,28,29)

InChIKey

WPUZGNPQMIWOHE-UHFFFAOYSA-N

LogP

3.8034000000000017

pKa

6.4(at 25℃)

Topological Polar Surface Area

125.43000000000002 Å²

Hydrogen Bond Donor/Acceptor

1 / 9

Complexity

828

Safety Information

View Safety Information

GHS Hazard Pictograms

H301

H311

H315

H319

H331

H335

H350

H360

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

H311 Toxic in contact with skin
Acute toxicity, dermal

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H331 Toxic if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

H350 May cause cancer
Carcinogenicity

H360 May damage fertility or the unborn child
Reproductive toxicity

Synonyms & References

English

AS-60165
5-Carboxyfluoresceindiacetate
79955-27-4
Cfda-5
3',6'-Diacetoxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-5-carboxylic acid
CS-3525
WPUZGNPQMIWOHE-UHFFFAOYSA-N
5-Carboxyfluorescein Diacetate - CAS 79955-27-4
5-CFDA
AKOS015902367
CHEMBL493815
DTXSID00229971
FT-0620191
J-100071
5-Carboxyfluorescein diacetate, ~95% (HPLC)
A864776
3',6'-bis(acetyloxy)-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid
3',6'-Bis(acetyloxy)-3-oxospiro(isobenzofuran-1(3H),9'-(9H)xanthene)-5-carboxylic acid
MFCD00036872
HY-D0047
3',6'-diacetyloxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid
A11047
C2859
SCHEMBL6663204
PD063611
5-Carboxy-di-O-acetylfluorescein
Spiro(isobenzofuran-1(3H),9'-(9H)xanthene)-5-carboxylic acid, 3',6'-bis(acetyloxy)-3-oxo-
5-Carboxyfluorescein diacetate
5(6)-CARBOXYFLUORESCEIN DIACETATE
BIOCHEMIKA, FOR FLUORESCENCE, ≥95.0 (HPLC)
Spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-5-carboxylicacid, 3',6'-bis(acetyloxy)-3-oxo-

MDL Number

MFCD00036872

FAQ

What is 3',6'-Diacetoxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid (CAS: 79955-27-4)?

3',6'-Diacetoxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid (CAS: 79955-27-4) is a complex organic compound with a spiro structure, featuring benzofuran and xanthene rings. It is characterized by its polar carboxylic acid group and two acetoxy substituents. This compound is primarily used in pharmaceutical and research applications due to its unique structural features.

What are the main uses of 3',6'-Diacetoxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid (CAS: 79955-27-4)?

3',6'-Diacetoxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid (CAS: 79955-27-4) is mainly used in pharmaceutical research for its structural and functional properties, as well as in organic synthesis due to its complex and versatile chemical structure. It may also find applications in the development of new materials and in analytical chemistry.

Is 3',6'-Diacetoxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid (CAS: 79955-27-4) safe?

3',6'-Diacetoxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid (CAS: 79955-27-4) is safe when handled properly. It is important to follow standard laboratory safety guidelines, including the use of appropriate personal protective equipment (PPE) such as gloves and goggles. Care should be taken to avoid skin and eye contact and inhalation of dust or fumes. Ensure ventilation during use and dispose of waste according to local regulations.

How should 3',6'-Diacetoxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid (CAS: 79955-27-4) be stored?

3',6'-Diacetoxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid (CAS: 79955-27-4) should be stored in a cool, dry place away from direct light and heat sources. It is recommended to keep the compound in a tightly sealed container, preferably a glass or metal container, to prevent degradation. Maintain a temperature below 25°C and avoid high humidity to preserve the integrity of the compound.