2,4,5-Trichloromandelic acid

Base Information

• Chemical Name: 2,4,5-Trichloromandelic acid
• CAS No.: 14299-51-5
• Molecular Formula: C₈H₅Cl₃O₃
• Molecular Weight: 255.485
• Hs Code.: 2918199090
• UNII: 3OS49679N5
• DSSTox Substance ID: DTXSID80931707
• Wikidata: Q27894527
• Mol file: 14299-51-5.mol

Synonyms:2,4,5-TCMA;2,4,5-trichloromandelic acid

Chemical Property of 2,4,5-Trichloromandelic acid

Chemical Property:

• Vapor Pressure: 2.52E-07mmHg at 25°C
• Boiling Point: 406.1°Cat760mmHg
• Flash Point: 199.4°C
• PSA: 57.53000
• Density: 1.692g/cm³
• LogP: 2.76480
• Storage Temp.: Refrigerator
• Solubility.: DMSO; Methanol
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 253.930427
• Heavy Atom Count: 14
• Complexity: 224

Purity/Quality:

2,4,5-Trichloromandelicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=CC(=C1Cl)Cl)Cl)C(C(=O)O)O
• Uses: 2,4,5-Trichloromandelic Acid is an intermediate in the synthesis of 2,4,5-Trichlorophenylethanediol (T382940); a metabolite of Tetrachlorvinphos (T292305). 2,4,5-Trichlorophenylethanediol is the byproduct of Tetrachlorvinphos being consumed by Dogs and Rats.

Technology Process of 2,4,5-Trichloromandelic acid

There total 1 articles about 2,4,5-Trichloromandelic 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:

→ 2,4,5-Trichlormandelsaeure (14299-51-5)

Guidance literature:

2,4,5-Trichlorphenacylidendichlorid, 1) NaOH, 2) HCl;

DOI:10.1021/jf60152a034