4-Chloro-3-nitrobenzophenone

Base Information

• Chemical Name: 4-Chloro-3-nitrobenzophenone
• CAS No.: 56107-02-9
• Molecular Formula: C13H8ClNO3
• Molecular Weight: 261.664
• Hs Code.: 2914700090
• European Community (EC) Number: 259-995-7
• NSC Number: 102519
• UNII: 9ZX6URA78L
• DSSTox Substance ID: DTXSID70204654
• Nikkaji Number: J87.885E
• Wikidata: Q72455761
• ChEMBL ID: CHEMBL53270
• Mol file: 56107-02-9.mol

Synonyms:4-Chloro-3-nitrobenzophenone;56107-02-9;Methanone, (4-chloro-3-nitrophenyl)phenyl-;BENZOPHENONE, 4-CHLORO-3-NITRO-;(4-chloro-3-nitrophenyl)-phenylmethanone;(4-Chloro-3-nitrophenyl)(phenyl)methanone;EINECS 259-995-7;BRN 2587417;9ZX6URA78L;3-nitro-4-chlorobenzophenone;CHEMBL53270;NSC-102519;(4-chloro-3-nitrophenyl)phenylmethanone;4-07-00-01383 (Beilstein Handbook Reference);NSC102519;(4-Chloro-3-nitro-phenyl)-phenyl-methanone;UNII-9ZX6URA78L;3Nitro-4-chloro-benzophenone;SCHEMBL333018;3-nitro-4-chloro-benzophenone;4-chloro-3-nitro-benzophenone;DTXSID70204654;BDBM50101957;MFCD00007081;STL367817;AKOS000120543;CS-W012492;NSC 102519;(4-Chloro-3-nitrophenyl)phenyl-methanone;3-NITRO-4-CHLORO DIPHENYL KETONE;AC-20390;LS-38889;C2906;FT-0618086;(4-Chloro-3-nitrophenyl)(phenyl)methanone #;EN300-20974;Methanone, (4-chloro-3-nitrophenyl)(phenyl);F16662;A830916;W-105529

Chemical Property of 4-Chloro-3-nitrobenzophenone

Chemical Property:

• Appearance/Colour: pale yellow crystalline powder
• Vapor Pressure: 3.53E-06mmHg at 25°C
• Melting Point: 101-107 °C
• Refractive Index: 1.623
• Boiling Point: 386.5 °C at 760 mmHg
• Flash Point: 203.4 °C
• PSA: 62.89000
• Density: 1.367 g/cm³
• LogP: 4.00240
• Storage Temp.: 2-8°C
• Solubility.: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly, Sonicated)
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 261.0192708
• Heavy Atom Count: 18
• Complexity: 323

Purity/Quality:

99.0% ^*data from raw suppliers

(4-Chloro-3-nitrophenyl)phenyl-methanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21
• Safety Statements: 45-36/37/39-26-22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]
• Uses: (4-Chloro-3-nitrophenyl)phenyl-methanone is a useful starting material for organic synthesis.

Technology Process of 4-Chloro-3-nitrobenzophenone

There total 7 articles about 4-Chloro-3-nitrobenzophenone 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: 73.0%

tert-butyl (3-chloro-5-nitrobenzyl)(methyl)carbamate + phenylmagnesium bromide (100-58-3) → 4-chloro-3-nitrobenzophenone (56107-02-9)

Guidance literature:

In tetrahydrofuran; at -30 ℃; for 0.5h; chemoselective reaction; Inert atmosphere;

DOI:10.1021/acs.joc.9b01699

Reference yield:

4-chloro-3-nitro-benzoyl chloride (38818-50-7) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 4-chloro-3-nitrobenzophenone (56107-02-9)

Guidance literature:

With aluminium trichloride; at 70 - 85 ℃;

Reference yield:

4-chloro-3-nitrobenzoate (96-99-1) → 4-chloro-3-nitrobenzophenone (56107-02-9)

Guidance literature:

Multi-step reaction with 2 steps

1: Cl(CO)2Cl, DMF / CH₂Cl₂ / Ambient temperature

2: AlCl₃ / Ambient temperature

With aluminium trichloride; oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane;

DOI:10.1021/jo970571i

upstream raw materials:

4-chloro-3-nitro-benzoyl chloride

benzene

4-chloro-3-nitrobenzoate

para-chlorotoluene

Downstream raw materials:

(3-Oxy-benzo[1,2,5]oxadiazol-5-yl)-phenyl-methanone

4-acetamido-3-nitrobenzophenone

benzoic acid-(4-benzoyl-2-nitro-anilide)

mebendazole

Refernces

• 1、 -. "Synthetic method of 3-nitryl-4-chloro-benzophenone". Paragraph 0036-0037. . Retrieved 2017/09/02.
• 2、 Parlow, John J.,Mischke, Deborah A.,Woodard, Scott S.. "Utility of Complementary Molecular Reactivity and Molecular Recognition (CMR/R) Technology and Polymer-Supported Reagents in the Solution-Phase Synthesis of Heterocyclic Carboxamides". . p. 5908 - 5919. Retrieved 2007/10/03.