2′,7′-Dichlorofluorescein 2′,7′-Dichlorofluorescein

Structural formula

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

Numbering system

CAS number:76-54-0

MDL number:MFCD00005047

EINECS number:200-968-6

RTECS number:NT8050000

BRN number:58009

PubChem number:24894041

Physical property data

1. Properties: Orange-red crystalline powder.

2. Density (g/mL, 25/4℃): 0.79

3. Relative vapor density (g/mL, air=1): Uncertain

4. Melting point (ºC): 280

5. Boiling point (ºC, normal pressure): Uncertain

6. Boiling point (ºC, 5.2kPa): Uncertain

7. Refractive index: Uncertain

8. Flash point (ºC): Uncertain

9. Specific rotation (º): Uncertain

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10. Autoignition point or ignition temperature (ºC): Uncertain

11. Vapor pressure (kPa, 25ºC): Uncertain

12. Saturated vapor pressure (kPa, 60ºC): Uncertain

13. Heat of combustion (KJ/mol): Uncertain

14. Critical temperature (ºC): Uncertain

15. Critical pressure (KPa): Uncertain

16. Log value of oil-water (octanol/water) partition coefficient: Uncertain

17. Explosion upper limit (%, V /V): Uncertain

18. Lower explosion limit (%, V/V): Uncertain

19. Solubility: Insoluble in water, dilute acid, ether, chloroform and Benzene is soluble in acetone, boiling ethanol and dilute alkali, and displays yellow-green fluorescence when soluble in dilute alkali.

Toxicological data

Acute toxicity:

Main irritant effects:

On skin: Irritation to skin and mucous membranes.

On the eyes: effects of irritation.

Sensitization: No known sensitizing effects.

Ecological data

General remarks

Water hazard level 1 (German regulations) (self-assessment via list) This substance is slightly hazardous to water.

Do not allow undiluted or large amounts of product to come into contact with groundwater, waterways or sewage systems.

If there is no government�Yes, do not release material into the surrounding environment.

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 97.65

2. Molar volume (cm³/mol): 229.1

3. Isotonic specific volume (90.2K): 713.9

4. Surface tension (dyne/cm): 94.2

5. Polarizability (10^-24cm³): 38.71

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 4.7

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 5

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 5

6. Topological molecule polar surface area 76

7. Number of heavy atoms: 27

8. Surface charge: 0

9. Complexity: 585

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None yet

Storage method

This product should be sealed and stored in a cool place.

Synthesis method

Prepared from the condensation of resorcinol and phthalic anhydride alone or in the presence of ZnCl2 or H2SO4.

Purpose

Mainly used for manufacturing luminescent pigments and eosin; also used as adsorption indicator. It is used medicinally as a preservative, laxative and anti-cancer drug.