4,4'-Dichloro-3-nitrobenzophenone

Base Information

• Chemical Name: 4,4'-Dichloro-3-nitrobenzophenone
• CAS No.: 31431-17-1
• Molecular Formula: C13H7 Cl2 N O3
• Molecular Weight: 296.109
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID40351043
• Wikidata: Q82127140
• Mol file: 31431-17-1.mol

Synonyms:4,4'-Dichloro-3-nitrobenzophenone;31431-17-1;(4-chloro-3-nitrophenyl)-(4-chlorophenyl)methanone;(4-chloro-3-nitrophenyl)(4-chlorophenyl)methanone;4,4//'-Dichloro-3-nitrobenzophenone;(4-chloro-3-nitro-phenyl)-(4-chlorophenyl)methanone;(4-Chloro-3-nitro-phenyl)-(4-chloro-phenyl)-methanone;SCHEMBL10383201;DTXSID40351043;4,4'-Dichloro-3-nitrobenzophenone, 97%;FT-0638971;A820849;AE-641/01680029;A1-01412;J-018422

Chemical Property of 4,4'-Dichloro-3-nitrobenzophenone

Chemical Property:

• Vapor Pressure: 3.52E-08mmHg at 25°C
• Melting Point: 86-90 °C(lit.)
• Refractive Index: 1.63
• Boiling Point: 446.9°C at 760 mmHg
• Flash Point: 224.1°C
• PSA: 62.89000
• Density: 1.456g/cm³
• LogP: 4.65580
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 294.9802985
• Heavy Atom Count: 19
• Complexity: 350

Purity/Quality:

98%min ^*data from raw suppliers

4,4′-Dichloro-3-nitrobenzophenone 97% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])Cl

Technology Process of 4,4'-Dichloro-3-nitrobenzophenone

There total 3 articles about 4,4'-Dichloro-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:

chlorobenzene (108-90-7) + 4-chloro-3-nitro-benzoyl chloride (38818-50-7) → 4,4'-dichloro-3-nitrobenzophenone (31431-17-1)

Guidance literature:

With carbon disulfide; aluminium trichloride;

Reference yield:

4,4'-Dichlorobenzophenone (90-98-2) → 4,4'-dichloro-3-nitrobenzophenone (31431-17-1)

Guidance literature:

With sulfuric acid; nitric acid;

Reference yield:

→ 4,4'-dichloro-3-nitrobenzophenone (31431-17-1)

Guidance literature:

upstream raw materials:

chlorobenzene

4-chloro-3-nitro-benzoyl chloride

4,4'-Dichlorobenzophenone

Downstream raw materials:

6-{(4-chlorophenyl)(1H-1,2,4-triazol-1-yl)methyl}-1H-benzo[d][1,2,3]triazole

1,2-diamino-4-{(4-chlorophenyl)(1H-1,2,4-triazol-1-yl)-methyl}benzene

4-{(4-chlorophenyl)(4H-1,2,4-triazol-4-yl)methyl}-1,2-di(tert-butoxycarbonylamino)benzene

4-{(4-chlorophenyl)(1H-1,2,4-triazol-1-yl)methyl}-1,2-di(tert-butoxycarbonylamino)benzene

Refernces

• 1、 Kraynack, Erica A.,Dalgard, Jackline E.,Gaeta, Federico C. A.. "An improved procedure for the regiospecific synthesis of electron deficient 4- and 6-substituted isatins". . p. 7679 - 7682. Retrieved 2007/10/03.