2,5-Bis(trifluoromethyl)benzoyl chloride

Base Information

• Chemical Name: 2,5-Bis(trifluoromethyl)benzoyl chloride
• CAS No.: 393-82-8
• Molecular Formula: C9H3 Cl F6 O
• Molecular Weight: 276.566
• Hs Code.: 2916399090
• European Community (EC) Number: 627-405-0
• DSSTox Substance ID: DTXSID70372261
• Wikidata: Q72447217
• Mol file: 393-82-8.mol

Synonyms:2,5-Bis(trifluoromethyl)benzoyl chloride;393-82-8;2,5-Bis(trifluoromethyl)benzoylchloride;2,5-bis-trifluoromethyl-benzoyl chloride;MFCD00074997;SCHEMBL937701;DTXSID70372261;AKOS005255778;AM61529;2,5-Bis(trifluromethyl)benzoyl chloride;2,5-bis-trifluoromethylbenzoyl chloride;PS-10712;B3980;Benzoyl chloride, 2,5-bis(trifluoromethyl)-;FT-0654730;2,5-Bis(trifluoromethyl)benzoyl chloride, 97%;2,5-bis(trifluoromethyl)benzenecarbonyl chloride;A824533

Chemical Property of 2,5-Bis(trifluoromethyl)benzoyl chloride

Chemical Property:

• Vapor Pressure: 0.00346mmHg at 25°C
• Refractive Index: n20/D 1.4315(lit.)
• Boiling Point: 231.1°Cat760mmHg
• Flash Point: 165 ºF
• PSA: 17.07000
• Density: 1.528
• LogP: 4.10320
• Sensitive.: Lachrymatory
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 275.9776614
• Heavy Atom Count: 17
• Complexity: 297

Purity/Quality:

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

2,5-Bis(trifluoromethyl)benzoyl chloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C(F)(F)F)C(=O)Cl)C(F)(F)F
• Uses: 2,5-Bis(trifluoromethyl)benzoyl chloride may be used in chemical synthesis.

Technology Process of 2,5-Bis(trifluoromethyl)benzoyl chloride

There total 1 articles about 2,5-Bis(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:

→ 2,5-bis(trifluoromethyl)benzoyl chloride (393-82-8)

Guidance literature:

With chlorine;

Reference yield: 92.0%

2,6-dibromo-4-aminophenol (609-21-2) + 2,5-bis(trifluoromethyl)benzoyl chloride (393-82-8) → N-(3,5-dibromo-4-hydroxyphenyl)-2,5-bis-trifluoromethylbenzamide (1126079-04-6)

Guidance literature:

In tetrahydrofuran; at 20 ℃; for 1h;

DOI:10.1021/jm801347s

Reference yield: 92.0%

2,5-bis(trifluoromethyl)benzoyl chloride (393-82-8) + 1,4-anhydro-5-O-benzoyl-3-deoxy-3-C-methylene-D-erythro-pentitol (234088-62-1) → 2,5-Bis-trifluoromethyl-benzoic acid (3R,5S)-5-benzoyloxymethyl-4-methylene-tetrahydro-furan-3-yl ester (609846-17-5)

Guidance literature:

With pyridine; at 0 ℃; for 0.25h;

DOI:10.1081/NCN-120021424

Downstream raw materials:

2,5-Bis-trifluoromethyl-benzoic acid (3R,5S)-5-benzoyloxymethyl-4-methylene-tetrahydro-furan-3-yl ester

2,5-bistrifluoromethyl-1-methylcarbonylbenzene

2-bromo-1-[(2,5-bis-trifluoromethyl)phenyl]-ethanone

1-(2,5-Bistrifluoromethylphenyl)-2-(imidazol-1-yl)ethanol