Catechol purple

Structural formula

Business number	0380
Molecular formula	C19H14O7S
Molecular weight	386.38
label	Catechol sulfonphthalein, catecholamine, dicatechol purple, O-diphenolsulfonphthalein, 3′,3′,4′-Trihydroxyfuchsone-2′-Sulfonic Acid, Pyrocatecholsulfonphthalein, indicator

• 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:115-41-3

MDL number:MFCD00005868

EINECS number:204-088-3

RTECS number:None

BRN number:353938

PubChem number:24898883

Physical property data

1. Characteristics: Red-brown crystalline powder

2. Density (g/mL, 25℃): Undetermined

3. Relative vapor density (g/mL,Air =1) Undetermined:

4. Melting point (ºC):185

5. Boiling point (ºC,Normal pressure): Undetermined

6. Boiling point (ºC,KPa)：Undetermined

7. Refractive index （n20/D）：Undetermined

8. Flashpoint (ºC): Undetermined

9. Specific optical rotation (ºC): Undetermined

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

11. Vapor pressure (mmHg,38ºC): Undetermined

12. Saturated vapor pressure (kPa, ºC): Undetermined

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

14. Critical temperature (ºC): Not confirmedSPAN style=”FONT: 7pt ‘Times New Roman'”> Molar refractive index:95.43

2. Molar volume (m³/mol）：236.6

3. isotonic specific volume (90.2K):721.8

4. Surface Tension (dyne/cm):86.5

5. Polarizability（10^-24cm³):37.83

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 4

3. Number of hydrogen bond acceptors: 7

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: 27

6. Topological molecule polar surface area 133

7. Number of heavy atoms: 27

8. Surface charge: 0

9. Complexity: 619

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

Avoid contact with strong oxides.

Storage method

Stored in a cool, ventilated warehouse. Keep away from fire and heat sources. They should be stored separately from oxidants, etc. and avoid mixed storage. Equipped with corresponding varieties and quantities of

Firefighting equipment. The storage area should be equipped with emergency release equipment and suitable containment materials.

Synthesis method

It is derived from the reaction of o-benzoylsulfonimide and catechol.

Purpose

Used as a complex titration indicator.

“>Storage method

Stored in a cool, ventilated warehouse. Keep away from fire and heat sources. They should be stored separately from oxidants, etc. and avoid mixed storage. Equipped with corresponding varieties and quantities of

Firefighting equipment. The storage area should be equipped with emergency release equipment and suitable containment materials.

Synthesis method

It is derived from the reaction of o-benzoylsulfonimide and catechol.

Purpose

Used as a complex titration indicator.