3-Methyl-2-nitrobenzoyl chloride

Base Information

• Chemical Name: 3-Methyl-2-nitrobenzoyl chloride
• CAS No.: 50424-93-6
• Molecular Formula: C8H6ClNO3
• Molecular Weight: 199.594
• Hs Code.: 2916399090
• NSC Number: 106281
• DSSTox Substance ID: DTXSID10295920
• Nikkaji Number: J1.450.194K
• Wikidata: Q72493516
• Mol file: 50424-93-6.mol

Synonyms:3-methyl-2-nitrobenzoyl chloride;50424-93-6;NSC106281;SCHEMBL2555082;3-methyl-2-nitro-benzoylchloride;DTXSID10295920;YVHZCFAUJFDIJY-UHFFFAOYSA-N;2-methyl-6-chlorocarbonyl-nitrobenzene;NSC-106281;FT-0688017;J-512840

Chemical Property of 3-Methyl-2-nitrobenzoyl chloride

Chemical Property:

• Vapor Pressure: 0.0006mmHg at 25°C
• Refractive Index: 1.6000 (estimate)
• Boiling Point: 310.4°Cat760mmHg
• Flash Point: 141.5°C
• PSA: 62.89000
• Density: 1.386g/cm³
• LogP: 2.80540
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 199.0036207
• Heavy Atom Count: 13
• Complexity: 226

Purity/Quality:

99% ^*data from raw suppliers

3-METHYL-2-NITROBENZOYL CHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=CC=C1)C(=O)Cl)[N+](=O)[O-]

Technology Process of 3-Methyl-2-nitrobenzoyl chloride

There total 3 articles about 3-Methyl-2-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%

3-methyl-2-nitrobenzoic acid (5437-38-7) → 3-methyl-2-nitrobenzoyl chloride (50424-93-6)

Guidance literature:

With thionyl chloride; N,N-dimethyl-formamide; In 1,2-dichloro-ethane; for 3h; Reflux;

Reference yield:

2-amino-6-methylbenzoic acid (4389-50-8) → 3-methyl-2-nitrobenzoyl chloride (50424-93-6)

Guidance literature:

With thionyl chloride; In benzene; Yield given; Heating;

DOI:10.1039/P19820001701

Reference yield:

m-Toluic acid (99-04-7) → 3-methyl-2-nitrobenzoyl chloride (50424-93-6)

Guidance literature:

Multi-step reaction with 2 steps

1: fuming nitric acid

2: PCl₅

With phosphorus pentachloride; nitric acid;

upstream raw materials:

3-methyl-2-nitrobenzoic acid

2-amino-6-methylbenzoic acid

m-Toluic acid

Downstream raw materials:

N,3-dimethyl-2-nitro-N-phenylbenzamide

(5-Hydroxy-3-methyl-isoxazol-4-yl)-(3-methyl-2-nitro-phenyl)-methanone

3-methyl-2-nitro-N-1H-tetrazol-5-ylbenzamide

3-methyl-N-(3-methyl-2-nitrobenzoyl)anthranilic acid

Refernces

• 1、 Ray, Anne-Marie,Salim, Nilshad,Stevens, Mckayla,Chitre, Siddhi,Abdeen, Sanofar,Washburn, Alex,Sivinski, Jared,O'Hagan, Heather M.,Chapman, Eli,Johnson, Steven M.. "Exploiting the HSP60/10 chaperonin system as a chemotherapeutic target for colorectal cancer". . . Retrieved 2021/05/13.
• 2、 -. "PYRAZOLAMIDE COMPOUND HAVING INSECTICIDAL ACTIVITY AND USE THEREOF". Paragraph 0039-0040; 0053-0054. . Retrieved 2020/11/29.