Trichloroacetic Acid

Base Information

• Chemical Name: Trichloroacetic Acid
• CAS No.: 76-03-9
• Molecular Formula: C2HCl3O2
• Molecular Weight: 163.388
• Hs Code.: 2915.40
• European Community (EC) Number: 200-927-2
• ICSC Number: 0586
• NSC Number: 215204,77363
• UN Number: 1839,2564
• UNII: 5V2JDO056X
• DSSTox Substance ID: DTXSID1021378
• Nikkaji Number: J2.400G
• Wikipedia: Trichloroacetic_acid
• Wikidata: Q410116
• Metabolomics Workbench ID: 49716
• ChEMBL ID: CHEMBL14053
• Mol file: 76-03-9.mol

Synonyms:Acid, Trichloroacetic;Acide trichloracetique;Rubidium Trichloroacetate;Sodium Trichloroacetate;trichloracetique, Acide;Trichloroacetate, Rubidium;Trichloroacetate, Sodium;Trichloroacetic Acid

Chemical Property of Trichloroacetic Acid

Chemical Property:

• Appearance/Colour: White solid
• Vapor Pressure: 0.17mmHg at 25°C
• Melting Point: 54-58 °C(lit.)
• Refractive Index: n20/D 1.62(lit.)
• Boiling Point: 196.499 °C at 760 mmHg
• Flash Point: 66.344 °C
• PSA: 37.30000
• Density: 1.6298 g/cm³
• LogP: 1.44120
• Water Solubility.: 120 g/100 mL (20℃)
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 161.904212
• Heavy Atom Count: 7
• Complexity: 83.4
• Transport DOT Label: Corrosive

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s): Xn, N, C, F
• Hazard Codes: C:Corrosive;;
• Statements: R35:; R50/53:
• Safety Statements: S26:; S36/37/39:; S45:; S60:; S61:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Organic Acids
• Canonical SMILES: C(=O)(C(Cl)(Cl)Cl)O
• Recent ClinicalTrials: TCA 15% Chemical Peel for Improvement in Hand Lentigines
• Recent EU Clinical Trials: Photodynamic Therapy (PDT) vs Chemopeeling for the treatment of multiple actinic keratoses on the underarms
• Inhalation Risk: A harmful contamination of the air will be reached rather slowly on evaporation of this substance at 20 °C.
• Effects of Short Term Exposure: The substance is corrosive to the eyes, skin and respiratory tract. Corrosive on ingestion. Inhalation of the vapour may cause lung oedema. The effects may be delayed. Medical observation is indicated.

Technology Process of Trichloroacetic Acid

There total 87 articles about Trichloroacetic 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: 95.0%

4-nitrosotetrahydro-2H-pyran-4-yl 2,2,2-trichloroacetate (1194657-31-2) → Tetrahydro-4H-pyran-4-one (29943-42-8,143562-54-3) + dinitrogen monoxide (10024-97-2) + trichloroacetic acid (76-03-9)

Guidance literature:

With water; In methanol; aq. phosphate buffer; at 20 ℃; for 24h; pH=7.4; Reagent/catalyst; Kinetics; Sealed tube;

DOI:10.1016/j.bmc.2015.04.023

Reference yield: 52.0%

trichloroacetonitrile (545-06-2) → trichloroacetamide (594-65-0) + trichloroacetic acid (76-03-9)

Guidance literature:

With water; at 140 ℃; for 6h; Sealed tube;

DOI:10.1007/s10562-016-1816-4

Reference yield: 0.11%

1,1,2,2-tetrachloroethylene (127-18-4) → dichloro-acetic acid (79-43-6) + trichloroacetic acid (76-03-9)

Guidance literature:

With dihydrogen peroxide; In water; at 25 ℃; pH=2.8; Further Variations:; Reagents; Product distribution; UV-irradiation;

DOI:10.1021/es980969b

upstream raw materials:

1,1,2,2-tetrachloroethylene

chloral hydrate

1,1,1,3,3,3-hexachloro-propan-2-one

acetic anhydride

Downstream raw materials:

N-trichloroacetyl-sulfanilic acid pyrimidin-2-ylamide

(+/-)-trans-1-trichloroacetoxy-cyclohexanol-⁽²⁾

ethyl 3-ethoxy-2-butenoate

1,3-bis-(2,2,2-trichloro-acetylamino)-benzene

Refernces

• 1、 Srinivasa Rao,Srivani,Dhana Lakshmi,Lingaiah. "Selective Hydration of Nitriles to Amides Over Titania Supported Palladium Exchanged Vanadium Incorporated Molybdophosphoric Acid Catalysts". . p. 2025 - 2031. Retrieved 2016/10/18.
• 2、 Lohr, Tracy L.,Li, Zhi,Assary, Rajeev S.,Curtiss, Larry A.,Marks, Tobin J.. "Thermodynamically leveraged tandem catalysis for ester RC(O)O-R′ bond hydrogenolysis. scope and mechanism". . p. 3675 - 3679. Retrieved 2015/06/16.