2',7'-Dichloro-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-3',6'-diyl diacetate

Basic Information

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CAS Number

2044-85-1

Molecular Formula

C24H14Cl2O7

Molecular Weight

485.28 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

232-234 °C

Flash Point

>109℃

Solubility

Insuluble (1.9E-5 g/L) (25 ºC),

SMILES

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CC(=O)OC1=C(C=C2C(=C1)OC3=CC(=C(C=C3C24C5=CC=CC=C5C(=O)O4)Cl)OC(=O)C)Cl

InChI

InChI=1S/C24H14Cl2O7/c1-11(27)30-21-9-19-15(7-17(21)25)24(14-6-4-3-5-13(14)23(29)33-24)16-8-18(26)22(31-12(2)28)10-20(16)32-19/h3-10H,1-2H3

InChIKey

VQVUBYASAICPFU-UHFFFAOYSA-N

LogP

5.4120000000000035

Topological Polar Surface Area

88.13 Å²

Hydrogen Bond Donor/Acceptor

0 / 7

Complexity

775

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

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

Sensitiveness

light and humidity sensitive

Synonyms & References

English

DCFD
2',7'-Dichlorofluorescein diacetate
DCFDA
PD053828
DS-11315
2044-85-1
DiacetyldichlorofluoresceinDcfh-DA
HY-126793
A879613
(6'-acetyloxy-2',7'-dichloro-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) acetate
SCHEMBL1024927
2',7'-Dichloro-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-3',6'-diyldiacetate
2',7'-dichlorofluorescein 3',6'-diacetate
J-013330
Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 3',6'-bis(acetyloxy)-2',7'-dichloro-
VQVUBYASAICPFU-UHFFFAOYSA-N
(6'-acetoxy-2',7'-dichloro-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-3'-yl) acetate
Leuco-dcf diacetate
2',7'-Dichloro-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-3',6'-diyl diacetate
Leukodiacetyl-2,7-dichlorofluorescein
2,7-DICHLOROFLUORESCINDIACETATE
3',6'-Bis(acetyloxy)-2',7'-dichlorospiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one
CS-0107435
Q26840962
AKOS015903461
FT-0739941
2',7'-Dichlorofluorescein diacetate, BioReagent, suitable for fluorescence, >=95% (HPLC)
Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 3',6'-bis(acetyloxy)-2',7'-dichloro-
2 inverted exclamation marka,7 inverted exclamation marka-Dichlorofluorescein diacetate
MFCD00037501
AC-33584

MDL Number

MFCD00037501

Customs Code

2932999099

FAQ

What are the physical and chemical properties of 2',7'-Dichloro-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-3',6'-diyl diacetate (CAS: 2044-85-1)?

The compound 2',7'-Dichloro-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-3',6'-diyl diacetate (CAS: 2044-85-1) crystallizes in the form of white or off-white crystals. Its molecular weight is approximately 482.16 g/mol. It is poorly soluble in water but soluble in organic solvents like dichloromethane, ethanol, and acetone. The compound has moderate reactivity, especially towards nucleophiles, and is susceptible to hydrolysis under basic conditions. It is insoluble in acetonitrile and other polar solvents, which are important for its handling and use in various applications.

How is 2',7'-Dichloro-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-3',6'-diyl diacetate (CAS: 2044-85-1) typically synthesized?

2',7'-Dichloro-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-3',6'-diyl diacetate (CAS: 2044-85-1) is typically synthesized via a multistep process involving the condensation of 2,7-dichloro-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene] with acetic anhydride in the presence of a suitable base like triethylamine. The reaction is conducted at room temperature, and the product is purified by recrystallization from hot ethanol. The overall yield is around 70% to 80% with good selectivity.

What industries use 2',7'-Dichloro-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-3',6'-diyl diacetate (CAS: 2044-85-1)?

2',7'-Dichloro-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-3',6'-diyl diacetate (CAS: 2044-85-1) is used in the pharmaceutical industry for its chemical reactivity and structural complexity. It is also utilized in the sensor industry for its ability to detect specific chemical species. In the semiconductors industry, it serves as a precursor for the synthesis of organic semiconductors. Additionally, it finds applications in the polymer industry as a fluorescent dye.

What precautions should be taken when handling 2',7'-Dichloro-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-3',6'-diyl diacetate (CAS: 2044-85-1)?

When handling 2',7'-Dichloro-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-3',6'-diyl diacetate (CAS: 2044-85-1), it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be stored in a fume hood to minimize exposure to air and moisture. In case of a spill, it should be contained and cleaned up using appropriate absorbent materials. The Safety Data Sheet (SDS) should be consulted for detailed handling and disposal instructions. The compound is not considered hazardous under normal conditions but precautions should always be taken to ensure safety.