2-Fluoro-4-(trifluoromethyl)benzoyl chloride

Base Information

• Chemical Name: 2-Fluoro-4-(trifluoromethyl)benzoyl chloride
• CAS No.: 126917-10-0
• Molecular Formula: C8H3ClF4O
• Molecular Weight: 226.558
• Hs Code.: 29163990
• European Community (EC) Number: 624-765-0
• DSSTox Substance ID: DTXSID80155325
• Wikidata: Q72477366
• Mol file: 126917-10-0.mol

Synonyms:2-Fluoro-4-(trifluoromethyl)benzoyl chloride;126917-10-0;Benzoyl chloride, 2-fluoro-4-(trifluoromethyl)-;2-fluoro-4-(trifluoromethyl)benzoylchloride;2-fluoro-4-trifluoromethylbenzoyl chloride;4-trifluoromethyl-2-fluorobenzoyl chloride;2-Fluoro-4-trifluoromethyl-benzoyl chloride;SCHEMBL496324;2-fluoro-4-trifluoromethyl-1-benzenecarbonyl chloride;DTXSID80155325;5,5-methylenebis(1H-benzotriazole);MFCD00061155;AKOS015853265;AS-40745;2-fluoro-4-trifluoromethyl-benzoylchloride;2-fluoro-4-trifluoromethyl benzoyl chloride;4-trifluoromethyl-2-fluoro-benzoyl chloride;FT-0612327;2-fluoro -4-(trifluoromethyl)benzoyl chloride;2-fluoranyl-4-(trifluoromethyl)benzoyl chloride;A805623;2-Fluoro-4-(trifluoromethyl)benzoyl chloride, 98%;J-005449;2-Fluoro-4-(trifluoromethyl)-1-benzenecarbonyl chloride

Chemical Property of 2-Fluoro-4-(trifluoromethyl)benzoyl chloride

Chemical Property:

• Appearance/Colour: Clear colorless liquid
• Vapor Pressure: 0.389mmHg at 25°C
• Refractive Index: n20/D 1.466(lit.)
• Boiling Point: 196.9 °C at 760 mmHg
• Flash Point: 72.9 °C
• PSA: 17.07000
• Density: 1.475 g/cm³
• LogP: 3.22350
• Sensitive.: Moisture Sensitive
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 225.9808551
• Heavy Atom Count: 14
• Complexity: 228

Purity/Quality:

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

2-Fluoro-4-(trifluoromethyl)benzoyl chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-27-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C(F)(F)F)F)C(=O)Cl

Technology Process of 2-Fluoro-4-(trifluoromethyl)benzoyl chloride

There total 2 articles about 2-Fluoro-4-(trifluoromethyl)benzoyl 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:

2-fluoro-4-(trifluoromethyl)benzoic acid (115029-24-8) → 2-fluoro-4-(trifluoromethyl)benzoyl chloride (126917-10-0)

Guidance literature:

With oxalyl dichloride; In dichloromethane; N,N-dimethyl-formamide; at 0 - 20 ℃;

DOI:10.1016/j.bmcl.2009.08.006

Reference yield:

→ 2-fluoro-4-(trifluoromethyl)benzoyl chloride (126917-10-0)

Guidance literature:

Reference yield: 96.0%

berberrubine chloride (15401-69-1) + 2-fluoro-4-(trifluoromethyl)benzoyl chloride (126917-10-0) → 9-O-(2-flouro-4-triflouromethylbenzoyl)berberrubine chloride (1297302-84-1)

Guidance literature:

In acetonitrile; at 20 ℃; for 0.5h;

DOI:10.1016/j.ejmech.2011.01.016

upstream raw materials:

2-fluoro-4-(trifluoromethyl)benzoic acid

Downstream raw materials:

N-[(1S,2S)-2-(4-Chloro-phenyl)-2-hydroxy-1-methyl-3-[1,2,4]triazol-1-yl-propyl]-2-fluoro-4-trifluoromethyl-benzamide

[(4S,5S)-5-(4-Chloro-phenyl)-4-methyl-5-[1,2,4]triazol-1-ylmethyl-oxazolidin-3-yl]-(2-fluoro-4-trifluoromethyl-phenyl)-methanone

N-[(1S,2S)-2-(2,4-Difluoro-phenyl)-2-hydroxy-1-methyl-3-[1,2,4]triazol-1-yl-propyl]-2-fluoro-4-trifluoromethyl-benzamide

[(4S,5S)-5-(2,4-Difluoro-phenyl)-4-methyl-5-[1,2,4]triazol-1-ylmethyl-oxazolidin-3-yl]-(2-fluoro-4-trifluoromethyl-phenyl)-methanone

Refernces

• 1、 -. "6-OXO-1,6-DIHYDROPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF". Paragraph 0145-0146; 0177-0178. . Retrieved 2021/11/14.
• 2、 Chen, Mian,Lv, Lin,Quan, Dongling,Schmitz, John C.,Tian, Nannan,Tian, Yuanxin,Wei, Ning,Wu, Huanxian,Wu, Shaoyu,Xie, Ying,Xu, Yimei,Yang, Danni,Yang, Zichao,Zhang, Huiwu,Zhang, Jiajie,Zhang, Tingting,Zhou, Lei. "Discovery of [1,2,4]triazolo[4,3-a]pyridines as potent Smoothened inhibitors targeting the Hedgehog pathway with improved antitumor activity in vivo". . . Retrieved 2020/07/03.