1,1,1-Trichloroacetone

Base Information

• Chemical Name: 1,1,1-Trichloroacetone
• CAS No.: 918-00-3
• Molecular Formula: C3H3 Cl3 O
• Molecular Weight: 161.415
• Hs Code.: 2914700090
• European Community (EC) Number: 620-529-6
• NSC Number: 2645
• UNII: NW27ZG5LDA
• DSSTox Substance ID: DTXSID5021679
• Nikkaji Number: J130.658H
• Wikipedia: 1,1,1-Trichloroacetone
• Wikidata: Q27285080
• ChEMBL ID: CHEMBL3185648
• Mol file: 918-00-3.mol

Synonyms:1,1,1-TCP;1,1,1-trichloro-2-propanone;1,1,1-trichloroacetone

Chemical Property of 1,1,1-Trichloroacetone

Chemical Property:

• Appearance/Colour: colorless liquid
• Vapor Pressure: 1.45mmHg at 25°C
• Melting Point: 9-11℃
• Refractive Index: 1.4580 to 1.4630
• Boiling Point: 134°C
• Flash Point: 64°C
• PSA: 17.07000
• Density: 1.475 g/cm³
• LogP: 1.94560
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 159.924948
• Heavy Atom Count: 7
• Complexity: 82.7

Purity/Quality:

99% ^*data from raw suppliers

1,1,1-Trichloroacetone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R25:; R26:; R34:; R50/53:
• Hazard Codes: T+:Very toxic
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=O)C(Cl)(Cl)Cl

Technology Process of 1,1,1-Trichloroacetone

There total 24 articles about 1,1,1-Trichloroacetone 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: 82.0%

1,1,1-trichloropropan-2-ol (76-00-6) → 1,1,1-trichloroacetone (918-00-3,861255-82-5)

Guidance literature:

With sodium dichromate; sulfuric acid; In acetic acid; for 0.166667h; Ambient temperature;

DOI:10.1055/s-1989-27293

Reference yield: 82.0%

chloroacetone (78-95-5) → 1,1,1-trichloroacetone (918-00-3,861255-82-5)

Guidance literature:

With sodium hydrogencarbonate; sodium chloride; In water; at 23 - 25 ℃; Product distribution; current 11 A;

DOI:10.1007/BF00953639

Reference yield: 80.0%

1,1-Dichloroacetone (513-88-2) → 1,1,1-trichloroacetone (918-00-3,861255-82-5)

Guidance literature:

With sodium hypochlorite;

upstream raw materials:

1,1,1-trichloropropan-2-ol

1,1-Dichloroacetone

acetone

sodium trichloroacetate

Downstream raw materials:

1,1,1-trichloropropan-2-ol

1,1,1,3-tetrachloro-propan-2-one

N-isopropylacetamide

1-acetyl-2-phenylhydrazine

Refernces

• 1、 Gao, Yu-Qiong,Gao, Nai-Yun,Chu, Wen-Hai,Yang, Qin-Lin,Yin, Da-Qiang. "Kinetics and mechanistic investigation into the degradation of naproxen by a UV/chlorine process". . p. 33627 - 33634. Retrieved 2017/07/12.
• 2、 Gallina, Carlo,Giordano, Cesare. "Selected Methods for the Oxidation of 1,1,1-Trichloro-2-alkanols. An Efficient Modification Using Chromic Acid". . p. 466 - 468. Retrieved 2007/10/02.