m-Cresol purple

Base Information

• Chemical Name: m-Cresol purple
• CAS No.: 2303-01-7
• Deprecated CAS: 2877-89-6,88492-48-2,88492-48-2
• Molecular Formula: C21H18O5S
• Molecular Weight: 382.437
• Hs Code.: 2934 99 90
• European Community (EC) Number: 218-960-6
• NSC Number: 9607
• UNII: 85ODZ58K3D
• DSSTox Substance ID: DTXSID3062316
• Nikkaji Number: J208.674C
• Wikipedia: Metacresol_purple
• Wikidata: Q907695
• Mol file: 2303-01-7.mol

Synonyms:3-cresol purple;3-cresol purple, monosodium salt;m-cresol purple;m-cresolsulfonphthalein

Chemical Property of m-Cresol purple

Chemical Property:

• Appearance/Colour: green crystalline powder
• Vapor Pressure: 1.19E-13mmHg at 25°C
• Melting Point: >250°C
• Refractive Index: 1.668
• Boiling Point: 577.5 °C at 760 mmHg
• PKA: 1.51, 8.32(at 25℃)
• Flash Point: 303 °C
• PSA: 92.21000
• Density: 1.37 g/cm³
• LogP: 4.80620
• Storage Temp.: Store at +5°C to +30°C.
• Solubility.: Solubility Very slightly soluble in water, ethanol; soluble in m
• Water Solubility.: Soluble in water and sodium hydroxide solution. Slightly soluble in alcohol.
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 382.08749484
• Heavy Atom Count: 27
• Complexity: 615

Purity/Quality:

98%,99%, ^*data from raw suppliers

m-Cresol Purple ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Dyes -> Indicator Dyes
• Canonical SMILES: CC1=C(C=CC(=C1)O)C2(C3=CC=CC=C3S(=O)(=O)O2)C4=C(C=C(C=C4)O)C
• Recent ClinicalTrials: Study of Efficacy of a Vasopressin 2 Receptor Antagonist M0002 for Treatment of Ascites in Cirrhotic Subjects With Hypo- or Normonatraemia
• Recent EU Clinical Trials: A randomized, double blind, placebo controlled, phase II, dose-titration trial to explore the safety, tolerability, pharmacokinetic profile and efficacy of M0002 in cirrhotic subjects with ascites and hypo- or normonatraemia.
• Uses: m-Cresol Purple acts as a pH indicator dye. It plays an important role in spectrophotometric pH measurements. It operates in the pH ranges 1.2 - 2.8 (red to yellow) and 7.4 - 9.0 (yellow to violet). Further, it is employed to stain epithelial cells and proteins.

Technology Process of m-Cresol purple

There total 3 articles about m-Cresol purple which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 34.0%

3-methyl-phenol (108-39-4) + saccharin (81-07-2) → m-cresol purple (2303-01-7)

Guidance literature:

With sulfuric acid; at 110 ℃; for 4h; Neat (no solvent);

DOI:10.1080/00397911.2010.535946

Reference yield: 15.0%

2-sulfobenzoic acid cyclic anhydride (81-08-3) + 3-methyl-phenol (108-39-4) → m-cresol purple (2303-01-7)

Guidance literature:

for 0.00277778h; Microwave irradiation;

DOI:10.1135/cccc20021779

Reference yield:

2-chlorosulfonylbenzoyl chloride (34684-21-4) + 3-methyl-phenol (108-39-4) → m-cresol purple (2303-01-7)

Guidance literature:

With zinc(II) chloride; at 105 - 110 ℃;

upstream raw materials:

2-sulfobenzoic acid cyclic anhydride

3-methyl-phenol

2-chlorosulfonylbenzoyl chloride

saccharin

Downstream raw materials:

4-hydroxy-2-methylbenzoic acid

Refernces

• 1、 Cihelnik, Simon,Stibor, Ivan,Lhotak, Pavel. "Solvent-free synthesis of sulfonephthaleins, sulfonefluoresceins and fluoresceins under microwave irradiation". . p. 1779 - 1789. Retrieved 2007/10/03.