2-Chloro-5-(trifluoromethyl)benzophenone

Base Information

• Chemical Name: 2-Chloro-5-(trifluoromethyl)benzophenone
• CAS No.: 789-96-8
• Molecular Formula: C14H8 Cl F3 O
• Molecular Weight: 284.665
• Hs Code.: 2914700090
• European Community (EC) Number: 670-846-9
• DSSTox Substance ID: DTXSID20229372
• Nikkaji Number: J309.047G
• Wikidata: Q83109597
• Mol file: 789-96-8.mol

Synonyms:2-Chloro-5-(trifluoromethyl)benzophenone;789-96-8;[2-chloro-5-(trifluoromethyl)phenyl]-phenylmethanone;(2-Chloro-5-(trifluoromethyl)phenyl)(phenyl)methanone;[2-chloro-5-(trifluoromethyl)phenyl](phenyl)methanone;Benzophenone, 2-chloro-5-(trifluoromethyl)-;Methanone,[2-chloro-5-(trifluoromethyl)phenyl]phenyl-;C14-H8-Cl-F3-O;DTXSID20229372;QHDJJBSLUFDASY-UHFFFAOYSA-N;MFCD00039229;AKOS003389754;FS-6234;2-chloro-5(trifluoromethyl)benzophenone;CS-0322432;FT-0611806;A839546;2-chloro-5-(trifluoromethyl)benzophenone, AldrichCPR;[2-chloranyl-5-(trifluoromethyl)phenyl]-phenyl-methanone

Chemical Property of 2-Chloro-5-(trifluoromethyl)benzophenone

Chemical Property:

• Vapor Pressure: 7.05E-05mmHg at 25°C
• Boiling Point: 343.4°C at 760 mmHg
• Flash Point: 161.5°C
• PSA: 17.07000
• Density: 1.336g/cm³
• LogP: 4.58980
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 284.0215771
• Heavy Atom Count: 19
• Complexity: 323

Purity/Quality:

98%min ^*data from raw suppliers

2-Chloro-5-(trifluoromethyl)benzophenone 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-36-22
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)C(F)(F)F)Cl

Technology Process of 2-Chloro-5-(trifluoromethyl)benzophenone

There total 4 articles about 2-Chloro-5-(trifluoromethyl)benzophenone 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: 91.0%

Br(1-)*C14H9ClF3O(1-)*Mg(2+) → (2-chloro-5-(trifluoromethyl)phenyl)(phenyl)methanone (789-96-8)

Guidance literature:

With Dess-Martin periodane; In dichloromethane; at 0 ℃; Inert atmosphere; Glovebox; Schlenk technique;

DOI:10.1002/cjoc.202100868

Reference yield:

3-amino-4-chlorobenzotrifluoride (121-50-6) → (2-chloro-5-(trifluoromethyl)phenyl)(phenyl)methanone (789-96-8)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) NaNO₂, H₂SO₄, (ii) aq. ZnCl₂, (iii) /BRN= 3587243/, CuCN, aq. NaHCO₃, PE

2: (i) Et₂O, benzene, (ii) HCl, (iii) aq. H₂SO₄, toluene

DOI:10.1002/hlca.19620450657

Reference yield:

2-chloro-5-(trifluoromethyl)benzonitrile (328-87-0) + phenylmagnesium bromide → (2-chloro-5-(trifluoromethyl)phenyl)(phenyl)methanone (789-96-8)

Guidance literature:

Multistep reaction; (i) Et₂O, benzene, (ii) HCl, (iii) aq. H₂SO₄, toluene;

DOI:10.1002/hlca.19620450657

upstream raw materials:

2-chloro-5-(trifluoromethyl)benzonitrile

3-amino-4-chlorobenzotrifluoride

Downstream raw materials:

2-amino-5-(trifluoromethyl)benzophenone

2'-benzoyl-4'-(trifluoromethyl)-[1,1'-biphenyl]-2-carbaldehyde

2-Benzoyl-4-trifluormethylbenzoesaeure

(2-(methylamino)-5-(trifluoromethyl)phenyl)(phenyl)methanone

Refernces