2,3,3-Trichloroacrylic acid

Base Information

• Chemical Name: 2,3,3-Trichloroacrylic acid
• CAS No.: 2257-35-4
• Molecular Formula: C3H Cl3 O2
• Molecular Weight: 175.399
• Hs Code.: 2916190090
• European Community (EC) Number: 218-856-0
• UNII: 682D8NWU8M
• DSSTox Substance ID: DTXSID90177093
• Nikkaji Number: J102.506F
• Mol file: 2257-35-4.mol

Synonyms:Trichloroacrylic acid;2257-35-4;2,3,3-Trichloroacrylic acid;2,3,3-trichloroprop-2-enoic acid;TRICHLOROACRYLICACID;Perchlorovinylic acid;2-Propenoic acid, 2,3,3-trichloro-;EINECS 218-856-0;trichloroprop-2-enoic acid;trichlor-acrylsaure;2-Propenoic acid,2,3,3-trichloro-;5394-04-7;Acrylic acid, trichloro-;C3HCl3O2;SCHEMBL34036;C3-H-Cl3-O2;682D8NWU8M;DTXSID90177093;CAA25735;MFCD00015455;AKOS006229357;2,3,3-TRICHLORO-2-PROPENOIC ACID;CS-0333544;FT-0695224;EN300-4254158

Chemical Property of 2,3,3-Trichloroacrylic acid

Chemical Property:

• Vapor Pressure: 0.039mmHg at 25°C
• Melting Point: 72-74°C
• Refractive Index: 1.5271 (estimate)
• Boiling Point: 278.1°Cat760mmHg
• PKA: pK1:1.15 (25°C)
• Flash Point: 124.4°C
• PSA: 37.30000
• Density: 1g/cm³
• LogP: 1.95650
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 173.904212
• Heavy Atom Count: 8
• Complexity: 136

Purity/Quality:

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

2,3,3-Trichloroacrylic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R34:Causes burns.
• Hazard Codes: R34:Causes burns.
• Statements: 34
• Safety Statements: 26-36/37/39

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(=C(Cl)Cl)(C(=O)O)Cl

Technology Process of 2,3,3-Trichloroacrylic acid

There total 24 articles about 2,3,3-Trichloroacrylic 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: 45.0%

2-(2,3,3-trichloro-1-nitroallylidene)-1,3-dimethyl-imidazolidine (949462-28-6) + dimethyl amine (124-40-3) → 1,1-dichloro-3-(1,3-dimethylimidazolidin-2-ylidene)-3-nitropropan-2-one (698989-74-1) + 2,3,3-trichloroacrylic acid (2257-35-4)

Guidance literature:

2-(2,3,3-trichloro-1-nitroallylidene)-1,3-dimethyl-imidazolidine; dimethyl amine; In methanol; water; at 45 - 50 ℃; for 6h;

With hydrogenchloride; In methanol; water; at 35 - 40 ℃; for 6h; Further stages.;

DOI:10.1055/s-2007-982554

Reference yield:

1,1,2,2-tetrachloroethylene (127-18-4) → dichloro-acetic acid (79-43-6) + tetrachlorosuccinic acid anhydride (3875-93-2) + tetrachlorosuccinic acid (3875-85-2) + 2,3,3-trichloroacrylic acid (2257-35-4) + carbon dioxide (124-38-9,18923-20-1) + oxalic acid (144-62-7,97993-78-7)

Guidance literature:

With dinitrogen monoxide; Mechanism; Product distribution; Irradiation; for trichloroacetaldehyde hydrate;

Reference yield:

perchloropropene (1888-71-7) → 2,3,3-trichloroacrylic acid (2257-35-4)

Guidance literature:

With aluminum(III) sulfate; sulfuric acid; at 130 ℃;

upstream raw materials:

3H,4H-hexachloro-hexa-1,3t,5-triene

trichloro-acrylaldehyde

perchloropropene

sodium ethanolate

Downstream raw materials:

trichloro-acrylic acid amide

2,3,3-trichloroacryloyl chloride

2,2,3,3,3-pentachloropropanoic acid

trichloroacryloyl-urea

Refernces

• 1、 West,Kwitowski. "". . p. 5280,5281, 5282. Retrieved 1966.
• 2、 Mertens, Ralf,Sonntag, Clemens von. "Reaction of the OH Radical with Tetrachloroethene and Trichloroacetaldehyde (Hydrate) in Oxygen-free Aqueous Solution". . p. 2181 - 2186. Retrieved 2007/10/02.