4-Chlorobenzophenone

Base Information

• Chemical Name: 4-Chlorobenzophenone
• CAS No.: 134-85-0
• Molecular Formula: C13H9ClO
• Molecular Weight: 216.667
• Hs Code.: 29147000
• European Community (EC) Number: 205-160-7
• NSC Number: 2872
• UNII: WIH1IZ728U
• DSSTox Substance ID: DTXSID2051687
• Nikkaji Number: J95.363F
• Wikidata: Q27292660
• ChEMBL ID: CHEMBL3560455
• Mol file: 134-85-0.mol

Synonyms:4-CHLOROBENZOPHENONE;134-85-0;(4-Chlorophenyl)(phenyl)methanone;p-Chlorobenzophenone;Methanone, (4-chlorophenyl)phenyl-;(4-chlorophenyl)-phenylmethanone;p-CBP;Benzophenone, 4-chloro-;4-chloro benzophenone;para-Chlorobenzophenone;4-Benzoylphenyl chloride;UNII-WIH1IZ728U;p-Chlorophenyl phenyl ketone;WIH1IZ728U;Cetirizine Impurity (4-Chlorobenzophenone);DTXSID2051687;HSDB 2740;NSC 2872;NSC-2872;EINECS 205-160-7;AI3-00705;MFCD00000622;4-chlorophenyl phenyl ketone;(4-chlorophenyl)phenylmethanone;CLEMASTINE (M2);4-CBP;4-Chlorobenzophenone, 99%;SCHEMBL50462;phenyl-(4-chlorophenyl)-ketone;CHEMBL3560455;DTXCID5030242;NSC2872;CHEBI:167846;BCP27841;STR01449;PHENYL 4-CHLOROPHENYL KETONE;Tox21_304009;(4-Chlorophenyl)(phenyl)methanone #;STL453116;4-CHLOROBENZOPHENONE [USP-RS];AKOS000119405;4-CHLOROPHENYL-PHENYL METHANONE;CS-W004344;PS-7925;NCGC00357224-01;AC-23664;CAS-134-85-0;FT-0618187;EN300-20342;D77656;4-Chlorobenzophenone(Chunks or pellets or flake);AH-034/32828041;W-108278;Q27292660;Z104477824;MECLOZINE DIHYDROCHLORIDE IMPURITY C [EP IMPURITY];4-Chlorobenzophenone, United States Pharmacopeia (USP) Reference Standard

Chemical Property of 4-Chlorobenzophenone

Chemical Property:

• Appearance/Colour: white to off-white crystalline powder
• Vapor Pressure: 0.015Pa at 25℃
• Melting Point: 93-96 °C(lit.)
• Refractive Index: 1.5260 (estimate)
• Boiling Point: 333 °C at 760 mmHg
• Flash Point: 176.1 °C
• PSA: 17.07000
• Density: 1.207 g/cm³
• LogP: 3.57100
• Storage Temp.: Store below +30°C.
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
• Water Solubility.: 20.706mg/L at 29℃
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 216.0341926
• Heavy Atom Count: 15
• Complexity: 213

Purity/Quality:

99% ^*data from raw suppliers

4-Chlorobenzophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C,Xi,Xn
• Hazard Codes: C,Xi,Xn
• Statements: 34-36/37/38-20/21/22
• Safety Statements: 26-36/37/39-45-24/25-2637/39-22-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Benzophenones
• Canonical SMILES: C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl
• Uses: UV curing type coating, printing ink, medical and pesticide intermediate 4-Chlorobenzophenone, is a building block used in various chemical synthesis. It can be used for the preparation of a variety of functionalized Coumarin derivatives.

Technology Process of 4-Chlorobenzophenone

There total 325 articles about 4-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: 92.0%

carbon monoxide (201230-82-2) + 4-Chlorophenylboronic acid (1679-18-1) + triphenylantimony(V) diacetate (1538-62-1,34716-94-4) → 4-chlorobenzophenone (134-85-0) + 4'-biphenyl chloride (2051-62-9,80333-62-6)

Guidance literature:

tetrakis(triphenylphosphine) palladium⁽⁰⁾; In 1-methyl-pyrrolidin-2-one; at 60 ℃; for 6h;

DOI:10.1016/j.jorganchem.2008.05.039

Reference yield: 89.0%

1-Chloro-4-iodobenzene (637-87-6) + carbon monoxide (201230-82-2) + potassium phenyltrifluoborate → 4-chlorobenzophenone (134-85-0) + 4'-biphenyl chloride (2051-62-9,80333-62-6)

Guidance literature:

With sodium carbonate; Trimethylacetic acid; at 80 ℃; for 9h; under 760.051 Torr; Reagent/catalyst; Temperature; Solvent; Mechanism;

DOI:10.1039/c5cc01968k

Reference yield: 84.0%

tri(p-chlorophenyl)antimony diacetate + carbon monoxide (201230-82-2) + phenylboronic acid (98-80-6) → 4-chlorobenzophenone (134-85-0) + 4'-biphenyl chloride (2051-62-9,80333-62-6)

Guidance literature:

tetrakis(triphenylphosphine) palladium⁽⁰⁾; In 1-methyl-pyrrolidin-2-one; at 60 ℃; for 6h;

DOI:10.1016/j.jorganchem.2008.05.039

upstream raw materials:

(4-chlorophenyl)phenylmethanol

benzoyl chloride

chlorobenzene

1-(4-chloro-phenyl)-1-phenyl-propane-1,2-diol

Downstream raw materials:

(4-chloro-phenyl)-phenyl-[3]pyridyl-methanol

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

2-(4-chlorophenyl)-2-phenyl-1,3-dithiolane

N-[(4-chlorophenyl)(phenyl)methyl]formamide

Refernces

• 1、 Shojaei, Abdollah Fallah,Tabatabaeian, Khalil,Hamidiyan, Massome,Hejazi, Seyyedeh Zoha. "Synthesis and characterization of RuO2@ZrO2 core-shell nano particles as heterogeneous catalyst for oxidation of benzylic alcohols in different conditions". . p. 803 - 808. Retrieved 2016.
• 2、 Barhate,Sasidharan,Sudalai,Wakharkar. "Selective catalytic oxidation of benzylic alcohols to the corresponding carbonyl compounds with TBHP over CrS-2". . p. 2067 - 2070. Retrieved 1996.
• 3、 Morley. "-". . p. 54. Retrieved 1977.
• 4、 Ma, Yangmin,Shao, Lei,Szostak, Michal,Wang, Ruihong,Zhang, Jin,Zhang, Pei. "Mechanochemical Solvent-Free Suzuki–Miyaura Cross-Coupling of Amides via Highly Chemoselective N?C Cleavage". supporting information. . Retrieved 2022/01/04.
• 5、 Liu, Chengxin,Cui, Jin,Wang, Yufang,Zhang, Mingjie. "A novel two-dimensional metal-organic framework as a recyclable heterogeneous catalyst for the dehydrogenative oxidation of alcohol and theN-arylation of azole compounds". . p. 11739 - 11744. Retrieved 2021/03/31.