5-Methyl-2-nitrobenzoyl chloride

Base Information

• Chemical Name: 5-Methyl-2-nitrobenzoyl chloride
• CAS No.: 38818-49-4
• Molecular Formula: C8H6 Cl N O3
• Molecular Weight: 199.594
• Hs Code.: 2916399090
• European Community (EC) Number: 254-132-0
• DSSTox Substance ID: DTXSID20192077
• Nikkaji Number: J319.843J
• Wikidata: Q83064687
• Mol file: 38818-49-4.mol

Synonyms:5-Methyl-2-nitrobenzoyl chloride;38818-49-4;Benzoyl chloride,5-methyl-2-nitro-;EINECS 254-132-0;SCHEMBL491747;DTXSID20192077;WAYVZRALCRKXTF-UHFFFAOYSA-N;5-Methyl-2-nitro-benzoyl chloride;2-Nitro-5-methylbenzoic acid chloride;5-methyl-2-nitrobenzoic acid chloride;AKOS014320724

Chemical Property of 5-Methyl-2-nitrobenzoyl chloride

Chemical Property:

• Vapor Pressure: 0.000154mmHg at 25°C
• Boiling Point: 331.6°C at 760 mmHg
• Flash Point: 154.3°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

5-Methyl-2-nitrobenzoylchloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 5-Methyl-2-nitrobenzoyl chloride

There total 2 articles about 5-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: 90.0%

5-methyl-2-nitrobenzoic acid (3113-72-2) → 5-methyl-2-nitrobenzoyl chloride (38818-49-4)

Guidance literature:

With oxalyl dichloride; N,N-dimethyl-formamide; In tetrahydrofuran; N,N-dimethyl-formamide; at 35 ℃; for 3h; Cooling with ice;

Reference yield:

→ 5-methyl-2-nitrobenzoyl chloride (38818-49-4)

Guidance literature:

Reference yield: 98.0%

5-methyl-2-nitrobenzoyl chloride (38818-49-4) + 2-methylthio-2-imidazoline hydroiodide (5464-11-9) → 4,5-dihydro-1-(5-methyl-2-nitrobenzoyl)-2-(methylthio)-1H-imidazole (121568-43-2)

Guidance literature:

With triethylamine; In dichloromethane; for 15h; Heating;

upstream raw materials:

5-methyl-2-nitrobenzoic acid

Downstream raw materials:

(5-methyl-2-nitro-benzoyl)-malonic acid diethyl ester

5-Methyl-N-(3-methyl-isoxazol-5-yl)-2-nitro-benzamide

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

N-(2-chloro-3-pyridinyl)-5-methyl-2-nitrobenzamide