4-(Trichloromethoxy)benzoyl chloride

Base Information

• Chemical Name: 4-(Trichloromethoxy)benzoyl chloride
• CAS No.: 36823-89-9
• Molecular Formula: C8H4Cl4O2
• Molecular Weight: 273.931
• NSC Number: 158371
• DSSTox Substance ID: DTXSID60303448
• Nikkaji Number: J1.310.230I
• Wikidata: Q82048748
• Mol file: 36823-89-9.mol

Synonyms:4-(trichloromethoxy)benzoyl chloride;36823-89-9;NSC 158371;NSC158371;SCHEMBL6520817;DTXSID60303448;NSC-158371;4-(Trichloromethoxy)benzoic acid chloride

Chemical Property of 4-(Trichloromethoxy)benzoyl chloride

Chemical Property:

• Vapor Pressure: 7.55E-05mmHg at 25°C
• Boiling Point: 342.4°C at 760 mmHg
• Flash Point: 147°C
• Density: 1.573g/cm³
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 273.893590
• Heavy Atom Count: 14
• Complexity: 206

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-(Trichloromethoxy)benzoyl chloride

There total 2 articles about 4-(Trichloromethoxy)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: 92.0%

4-methoxy-benzoyl chloride (100-07-2) → 4-(Trichloromethoxy)benzoyl chloride (36823-89-9)

Guidance literature:

With phosphorus pentachloride; chlorine; at 200 ℃;

DOI:10.1016/S0022-1139(99)00259-6

Reference yield:

→ 4-(Trichloromethoxy)benzoyl chloride (36823-89-9)

Guidance literature:

/BRN= 208571/, Cl2, Bz2O2;

Reference yield: 69.0%

4-(Trichloromethoxy)benzoyl chloride (36823-89-9) + chlorobenzene (108-90-7) → 4-Chloro-4'-(chlorodifluoromethoxy)benzophenone (279684-18-3)

Guidance literature:

With hydrogen fluoride; at -20 ℃;

4-(Trichloromethoxy)benzoyl chloride; chlorobenzene; With boron trifluoride; at -5 ℃; for 40h;

DOI:10.1002/1526-4998(200102)57:2<191::AID-PS275>3.0.CO;2-O

upstream raw materials:

4-methoxy-benzoyl chloride

Downstream raw materials:

4-(trifluoromethoxy)benzoyl fluoride

C₂₃H₂₄Cl₆N₂O₄

4-Chloro-4'-(chlorodifluoromethoxy)benzophenone

(4-chlorophenyl)(4-(trifluoromethoxy)phenyl)methanone