Bromocresol green Bromocresol green

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:76-60-8

MDL number:MFCD00005874

EINECS number:200-972-8

RTECS number:SJ7456000

BRN number:372527

PubChem number:24847166

Physical property data

1. Properties: white or slightly yellow crystal.

2. Density (g/mL, 25/4℃): Undetermined

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

4. Melting point (ºC): 218～219

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

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

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

9. Specific rotation (º): Undetermined Determined

10. Autoignition point or ignition temperature (ºC): Not determined

11. Vapor pressure (kPa, 25ºC): Not determined

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

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

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

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

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

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

19. Solubility: Easily soluble in ethanol, ether and acetic acid Ethyl ester, soluble in benzene, slightly soluble in water. Insoluble in ether.

Toxicological data

None yet

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 132.51

2. Molar volume (cm³/mol): 337.0

3. Isotonic specific volume (90.2K ): 969.0

4. Surface tension (dyne/cm): 68.3

5. Polarizability (10^-24cm³): 52.53

Computational ChemistryData

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

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 5

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: 45

6. Topological molecule polar surface area 92.2

7. Number of heavy atoms: 31

8. Surface charge: 0

9. Complexity: 742

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

1. Sodium salt is soluble in water.

Storage method

This product should be kept sealed and dry.

Synthesis method

1. Suspended m-cresolsulfonyl phthalide in glacial acetic acid and reacted with bromine under heating.

2.Slowly add the acetic acid solution of m-cresol violet to the acetic acid solution of bromine while stirring, and control the temperature not to exceed 80°C ：

Continuously stir and keep warm for several hours, cool, filter, wash the precipitate with acetic acid twice, and dry at 50-60°C. The dried crude product was recrystallized with glacial acetic acid.

Purpose

1. Used as an acid-base indicator, with a pH discoloration range of 3.8 (yellow) to 5.4 (blue-green). The sodium salt solution is used as a chromogenic reagent for spectrophotometric determination of H value.

2. Used as a reagent for the determination of aliphatic hydroxy acids and alkaloids by thin layer chromatography and for the determination of quaternary ammonium cations by photometry. Extraction separation agent.