Trichloroacetyl chloride

Base Information

• Chemical Name: Trichloroacetyl chloride
• CAS No.: 76-02-8
• Molecular Formula: C2Cl4O
• Molecular Weight: 181.833
• Hs Code.: 2914700090
• European Community (EC) Number: 200-926-7
• NSC Number: 190466
• UN Number: 2442
• UNII: 9SN86T76Y6
• DSSTox Substance ID: DTXSID9034070
• Nikkaji Number: J1.472I
• Wikipedia: Trichloroacetyl_chloride
• Wikidata: Q908780
• ChEMBL ID: CHEMBL3186657
• Mol file: 76-02-8.mol

Synonyms:trichloroacetyl chloride

Chemical Property of Trichloroacetyl chloride

Chemical Property:

• Appearance/Colour: clear to slightly yellow fuming liquid
• Vapor Pressure: 17mmHg at 25°C
• Melting Point: -57 °C(lit.)
• Refractive Index: 1.469 - 1.471
• Boiling Point: 118 °C at 760 mmHg
• Flash Point: 31 °C
• PSA: 17.07000
• Density: 1.744 g/cm³
• LogP: 2.12200
• Water Solubility.: reacts violently
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 181.867375
• Heavy Atom Count: 7
• Complexity: 82.2
• Transport DOT Label: Corrosive Poison Inhalation Hazard

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): T+,T
• Hazard Codes: T+:Very toxic
• Statements: R14:; R22:; R26:; R29:; R35:
• Safety Statements: S23:; S26:; S28A:; S36/37/39:; S45:; S8:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Toxic Gases & Vapors -> Acid Halides
• Canonical SMILES: C(=O)(C(Cl)(Cl)Cl)Cl

Technology Process of Trichloroacetyl chloride

There total 67 articles about Trichloroacetyl chloride 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: 85.0%

1,1,2,2-tetrachloroethylene (127-18-4) + hypofluorous acid trifluoromethyl ester (373-91-1) → CFC-112a (76-12-0) + dichloro-fluoro-acetyl chloride (354-17-6) + 1,1,2,2-tetrachloro-1-fluoro-2-trifluoromethoxyethane (136649-69-9) + trifluoroacetyl chloride (76-02-8) + Dichloro-trifluoromethoxy-acetyl chloride

Guidance literature:

With oxygen; at 40.9 ℃; for 1.97833h; under 420.8 Torr; Product distribution; Mechanism; Rate constant; var. of partial pressure, temp.;

DOI:10.1524/zpch.1998.203.Part_1_2.183

Reference yield: 63.6%

chlorotriphenoxy(trichloroacetyl)phosphorane (73569-84-3) → triphenyl phosphite (101-02-0) + Diphenyl phosphorochloridite (5382-00-3) + trifluoroacetyl chloride (76-02-8)

Guidance literature:

at 50 ℃; under 10 Torr; Mechanism;

Reference yield: 20.0%

pentachloroethane (76-01-7) → phosgene (75-44-5) + trifluoroacetyl chloride (76-02-8)

Guidance literature:

Irradiation (UV/VIS); with Cl2 sensibilized photochemical oxidn., 80 to 100°C;

upstream raw materials:

perchloroethylene oxide

1,1,2,2-tetrachloroethylene

diethyl ether

pentachloroethane

Downstream raw materials:

ω-trichlorodiazoacetone

N-trichloroacetyl-sulfanilic acid thiazol-2-ylamide

N-benzoyl-N'-trichloroacetyl-hydrazine

2-Trichloracetylamino-biphenyl

Refernces

• 1、 Butler,McDonough. "-". . p. 403,404. Retrieved 1968.
• 2、 Kaur, Gurinderjit,Kaur, Harleen,Kaur, Pardeep,Sharma, Sunita,Singh, Ravneet. "Synthesis and Fungitoxic Evaluation of Acylamino-1,2,4-Triazoles". . p. 389 - 395. Retrieved 2021/11/22.
• 3、 -. "A high-purity 3, 5, 6 - trichloro-pyridine -2 - sodium alcoholate production process (by machine translation)". Paragraph 0046; 0064. . Retrieved 2019/04/04.