2-Chlorobenzophenone

Base Information

• Chemical Name: 2-Chlorobenzophenone
• CAS No.: 5162-03-8
• Molecular Formula: C13H9ClO
• Molecular Weight: 216.667
• Hs Code.: DERIVATION
• European Community (EC) Number: 225-936-9
• NSC Number: 62529
• UNII: DU8B664MRJ
• DSSTox Substance ID: DTXSID6063721
• Nikkaji Number: J5.201I
• Wikidata: Q63395436
• Mol file: 5162-03-8.mol

Synonyms:2-Chlorobenzophenone;5162-03-8;(2-Chlorophenyl)(phenyl)methanone;o-Chlorobenzophenone;Methanone, (2-chlorophenyl)phenyl-;Benzophenone, 2-chloro-;(2-chlorophenyl)-phenylmethanone;(2-Chlorophenyl)phenylmethanone;MFCD00000558;2-Chlorobenyl phenyl ketone;DU8B664MRJ;EINECS 225-936-9;NSC 62529;NSC-62529;AI3-22112;(2-Chlorophenyl)phenylmethanone (2-Chlorobenzophenone);51330-06-4;Benzophenonchlorid;(2-Chloro-phenyl)-phenyl-methanone;NSC62529;Clotrimazole Impurity E;UNII-DU8B664MRJ;NCIOpen2_002858;SCHEMBL49873;2-Chlorobenzophenone, >=99%;DTXSID6063721;Methanone, (chlorophenyl)phenyl-;VMHYWKBKHMYRNF-UHFFFAOYSA-;AMY31909;(2-Chlorophenyl)(phenyl)methanone #;AKOS009156780;CS-T-11201;CS-W014830;AC-10277;AS-10885;LS-91175;SY037744;Benzophenone, 2-chloro- (6CI,7CI,8CI);CLOTRIMAZOLE IMPURITY E [EP IMPURITY];FT-0635566;A854371;AE-562/43461521;J-500719;(2-Chlorophenyl)phenyl-methanone;Q63395436;Clotrimazole impurity E, European Pharmacopoeia (EP) Reference Standard;2-Chlorobenzophenone, Pharmaceutical Secondary Standard;Certified Reference Material;2,4-Bis(allylamino)-6-[4-[bis(p-fluorophenyl)methyl]-1-piperazinyl]-s-triazinedimethanesulfonate

Chemical Property of 2-Chlorobenzophenone

Chemical Property:

• Appearance/Colour: white to yellow crystalline powder
• Melting Point: 44-47 °C(lit.)
• Refractive Index: 1.5260 (estimate)
• Boiling Point: 330.6 °C at 760 mmHg
• Flash Point: 175.2 °C
• PSA: 17.07000
• Density: 1.207 g/cm³
• LogP: 3.57100
• Storage Temp.: Store below +30°C.
• Solubility.: Chloroform (Sparingly), Methanol (Slightly)
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 216.0341926
• Heavy Atom Count: 15
• Complexity: 221

Purity/Quality:

99.0% ^*data from raw suppliers

2-Chlorobenzophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-20/21/22
• Safety Statements: 37/39-26-24/25-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)C2=CC=CC=C2Cl
• Uses: (2-Chlorophenyl)phenyl-methanone is a metabolite of Clofedanol (C586920). Chlorobenzophenone is also used as a catalyst in the photocrosslinking of polyethylenes. 2-Chlorobenzophenone was used in the synthesis of 1-(2-chlorophenyl)isoquinolin-3-yl trifluoromethanesulfonate.

Technology Process of 2-Chlorobenzophenone

There total 91 articles about 2-Chlorobenzophenone 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: 100.0%

o-chlorobenzoyl chloride (609-65-4) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → (2-chlorophenyl)(phenyl)methanone (5162-03-8)

Guidance literature:

With aluminium trichloride; for 19.5h; Heating;

DOI:10.1016/j.tet.2007.01.010

Reference yield: 94.0%

sodium tetraphenyl borate (143-66-8) + o-chlorobenzoyl chloride (609-65-4) → (2-chlorophenyl)(phenyl)methanone (5162-03-8)

Guidance literature:

With potassium fluoride; bis-triphenylphosphine-palladium(II) chloride; In acetone; for 0.15h; microwave irradiation (525 W);

DOI:10.1081/SCC-100108241

Reference yield: 93.0%

2-Chlorobenzeneboronic acid (3900-89-8) + benzoyl chloride (98-88-4) → (2-chlorophenyl)(phenyl)methanone (5162-03-8)

Guidance literature:

With 2C₆₀H₈₀NaO₁₂⁽²⁺⁾*Cl₆Pd₂^(2-); potassium carbonate; triphenylphosphine; In toluene; at 70 ℃; for 12h;

DOI:10.3998/ark.5550190.p007.750

upstream raw materials:

(2-chlorophenyl)phenylmethanone oxime

o-chlorobenzoyl chloride

benzene

benzoyl chloride

Downstream raw materials:

(2-chloro-phenyl)-phenyl-[2]pyridyl-methanol

phenyl 2-chlorobenzoate

1,2-bis-(2-chloro-phenyl)-1,2-diphenyl-ethane-1,2-diol

2-(4-chloro-2-nitro-anilino)-benzophenone

Refernces

• 1、 Huang, Zheng,Liu, Guixia,Qian, Lu,Tang, Xixia,Wang, Yulei. "Asymmetric Transfer Hydrogenation of Diaryl Ketones with Ethanol Catalyzed by Chiral NCP Pincer Iridium Complexes". supporting information. . Retrieved 2022/02/23.
• 2、 -. "Method for preparing aldehyde ketone compound through olefin oxidation". Paragraph 0019. . Retrieved 2021/04/07.