Tiron free acid

Base Information

• Chemical Name: Tiron free acid
• CAS No.: 149-46-2
• Molecular Formula: C6H6 O8 S2
• Molecular Weight: 270.241
• Hs Code.: 2908999090
• European Community (EC) Number: 205-742-0,232-580-8,205-741-5
• UNII: 306J0THJ9U
• DSSTox Substance ID: DTXSID6043963
• Nikkaji Number: J5.851C
• Wikipedia: Tiron_(chemical)
• Wikidata: Q27255921
• NCI Thesaurus Code: C75028
• ChEMBL ID: CHEMBL1205542
• Mol file: 149-46-2.mol

Synonyms:Chemolase;Chymodiactin;Chymopapain;Chymopapain A;Chymopapain B;Discase

Chemical Property of Tiron free acid

Chemical Property:

• Refractive Index: 1.6000 (estimate)
• Boiling Point: °Cat760mmHg
• PKA: pK3:7.66(+2);pK4:12.6(-3) (25°C)
• Flash Point: °C
• PSA: 165.96000
• Density: g/cm³
• LogP: 1.75280
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 269.95040949
• Heavy Atom Count: 16
• Complexity: 440

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Biological Agents -> Enzymes,Other Uses -> Chelating Agents
• Canonical SMILES: C1=C(C=C(C(=C1O)O)S(=O)(=O)O)S(=O)(=O)O
• Recent ClinicalTrials: Perioperative SDD to Prevent Infectious Complications After Esophagectomy
• Recent EU Clinical Trials: Perioperative selective decontamination of the digestive tract (SDD) in elective colorectal cancer patients: a multicenter randomized clinical trial

Technology Process of Tiron free acid

There total 16 articles about Tiron free acid 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:

tiron (149-45-1) → tiron (149-46-2)

Guidance literature:

With sulfuric acid; In water; for 2h; Inert atmosphere;

DOI:10.1007/s10562-018-2642-7

Reference yield:

benzene-1,2-diol (120-80-9,19481-10-8,37349-32-9) → tiron (149-46-2)

Guidance literature:

With sulfuric acid; sulfur trioxide; at 100 ℃;

Reference yield:

→ tiron (149-46-2)

Guidance literature:

With sodium hydroxide; at 160 ℃;

upstream raw materials:

3,4-dihydroxybenzenesulfonic acid

5-chloro-4-hydroxy-benzene-1,3-disulfonic acid

5-bromo-4-hydroxy-benzene-1,3-disulfonic acid

benzene-1,2-diol

Downstream raw materials:

benzene-1,2-diol

ferroin

iron(II)tris(5,6-Me₂-phen)⁽²⁺⁾

tris(5-methyl-1,10-phenanthroline)iron(II)