2-Chloro-4-nitrobenzoyl chloride

Base Information

• Chemical Name: 2-Chloro-4-nitrobenzoyl chloride
• CAS No.: 7073-36-1
• Molecular Formula: C7H3Cl2NO3
• Molecular Weight: 220.012
• Hs Code.: 2916399090
• European Community (EC) Number: 230-367-4
• DSSTox Substance ID: DTXSID4064559
• Nikkaji Number: J150.845H
• Wikidata: Q81991655
• Mol file: 7073-36-1.mol

Synonyms:2-Chloro-4-nitrobenzoyl chloride;7073-36-1;Benzoyl chloride, 2-chloro-4-nitro-;2-chloro-4-nitrobenzoylchloride;EINECS 230-367-4;C7H3Cl2NO3;Benzoyl chloride,2-chloro-4-nitro-;SCHEMBL752917;DTXSID4064559;2-chloro-4-nitro-benzoyl chloride;MFCD00051515;AKOS015850048;AS-33122;FT-0611792;2-Chloro-4-nitrobenzoyl chloride, AldrichCPR;EN300-1459121;A836975

Chemical Property of 2-Chloro-4-nitrobenzoyl chloride

Chemical Property:

• Vapor Pressure: 0.00121mmHg at 25°C
• Melting Point: 26 °C
• Refractive Index: 1.5950
• Boiling Point: 299.2 °C at 760 mmHg
• Flash Point: 134.7 °C
• PSA: 62.89000
• Density: 1.575 g/cm³
• LogP: 3.15040
• Sensitive.: Moisture Sensitive
• Solubility.: soluble in Toluene
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 218.9489983
• Heavy Atom Count: 13
• Complexity: 228

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Chloro-4-nitrobenzoyl Chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R34:Causes burns.
• Hazard Codes: Xi
• Statements: 34-41
• Safety Statements: 26-36/37/39-45-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Cl)C(=O)Cl
• Uses: 2-Chloro-4-nitro-benzoyl chloride is a reactant in the synthesis of benzoxazole derivatives as interleukin-6 antagonists.

Technology Process of 2-Chloro-4-nitrobenzoyl chloride

There total 2 articles about 2-Chloro-4-nitrobenzoyl chloride 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%

2-chloro-4-nitrobenzoic acid (99-60-5) → 2-chloro-4-nitrobenzoyl chloride (7073-36-1)

Guidance literature:

With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; at 0 - 25 ℃; for 0.5h;

DOI:10.1002/adsc.201400191

Reference yield:

2-chloro-4-nitrobenzoic acid (99-60-5) + (4-amino-2-chlorophenyl)(phenyl)methanone (61747-12-4) → 2-chloro-4-nitrobenzoyl chloride (7073-36-1)

Guidance literature:

With thionyl chloride; In N,N-dimethyl-formamide;

Reference yield: 100.0%

methanol (67-56-1) + 2-chloro-4-nitrobenzoyl chloride (7073-36-1) → methyl 2-chloro-4-nitrobenzoate (13324-11-3)

Guidance literature:

at 0 - 20 ℃;

DOI:10.1021/jm901084f

upstream raw materials:

2-chloro-4-nitrobenzoic acid

(4-amino-2-chlorophenyl)(phenyl)methanone

Downstream raw materials:

2-chloro-4-nitro-benzoic acid-(2-methoxy-phenyl ester)

2-chloro-4-nitro-benzoic acid-(2-diethylamino-ethylamide)

2-chloro-4-nitro-benzoic acid anilide

2-chloro-4-nitro-benzoic acid-(2-diethylamino-ethyl ester); hydrochloride

Refernces

• 1、 Zhou, Shiyang,Huang, Gangliang. "Design, synthesis and biological evaluation of novel 7H-benzo [c] [1, 3] dioxolo [4, 5-f] chromen-7-one derivatives with potential anti-tumor activity". . . Retrieved 2020/10/29.
• 2、 -. "Heterocyclic Compounds and Methods of Use". Paragraph 0431; 0471; 0475. . Retrieved 2018/03/01.