Methyl 5-bromo-2-chlorobenzoate

Base Information

• Chemical Name: Methyl 5-bromo-2-chlorobenzoate
• CAS No.: 251085-87-7
• Molecular Formula: C8H6BrClO2
• Molecular Weight: 249.491
• Hs Code.: 2916399090
• European Community (EC) Number: 607-552-7
• DSSTox Substance ID: DTXSID50357071
• Nikkaji Number: J2.534.389A
• Wikidata: Q72488439
• Mol file: 251085-87-7.mol

Synonyms:methyl 5-bromo-2-chlorobenzoate;251085-87-7;5-BROMO-2-CHLOROBENZOIC ACID METHYL ESTER;Benzoic acid, 5-bromo-2-chloro-, methyl ester;2-Chloro-5-bromobenzoic acid methyl ester;MFCD00144770;5-bromo-2-chloro-benzoic acid methyl ester;Methyl 5-bromo-2-chloro-benzoate;SCHEMBL195401;methyl-5-bromo-2-chlorobenzoate;DTXSID50357071;BKA08587;RKL10124;STK425463;AKOS003284088;METHYL5-BROMO-2-CHLOROBENZOATE;SY024436;AM20040018;CS-0097740;FT-0698096;EN300-412688

Chemical Property of Methyl 5-bromo-2-chlorobenzoate

Chemical Property:

• Vapor Pressure: 0.00491mmHg at 25°C
• Melting Point: 43-44 °C
• Refractive Index: 1.564
• Boiling Point: 276.043 °C at 760 mmHg
• Flash Point: 120.747 °C
• PSA: 26.30000
• Density: 1.605 g/cm³
• LogP: 2.88910
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 247.92397
• Heavy Atom Count: 12
• Complexity: 174

Purity/Quality:

98% ^*data from raw suppliers

Methyl5-bromo-2-chlorobenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=C(C=CC(=C1)Br)Cl

Technology Process of Methyl 5-bromo-2-chlorobenzoate

There total 4 articles about Methyl 5-bromo-2-chlorobenzoate 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: 99.0%

methanol (67-56-1) + 5-bromo-2-chloro-benzoyl chloride (21900-52-7) → methyl 5-bromo-2-chloro-benzoate (251085-87-7)

Guidance literature:

In dichloromethane; at 0 - 20 ℃; for 1.16667h;

Reference yield: 98.0%

methanol (67-56-1) + 5-bromo-2-chlorobenzoic acid (21739-92-4) → methyl 5-bromo-2-chloro-benzoate (251085-87-7)

Guidance literature:

With sulfuric acid; for 72h; Heating;

DOI:10.1021/jm0612867

Reference yield: 91.0%

oxalyl dichloride (79-37-8) + 5-bromo-2-chlorobenzoic acid (21739-92-4) → methyl 5-bromo-2-chloro-benzoate (251085-87-7)

Guidance literature:

In methanol; dichloromethane; N,N-dimethyl-formamide;

upstream raw materials:

methanol

5-bromo-2-chlorobenzoic acid

oxalyl dichloride

5-bromo-2-chloro-benzoyl chloride

Downstream raw materials:

2-chloro-5-bromobenzaldehyde

5-bromo-2-chlorobenzyl alcohol

1-(5-bromo-2-chlorophenyl)-1-methylethanol

2-(azidomethyl)-4-bromo-1-chlorobenzene

Refernces

• 1、 -. "BENZOXABOROLE COMPOUNDS AND FORMULATIONS THEREOF". Paragraph 00281. . Retrieved 2019/06/17.
• 2、 Do-Thanh, Chi-Linh,Vargas, Jose J.,Thomas, Joseph W.,Armel, Gregory R.,Best, Michael D.. "Design, Synthesis, and Evaluation of Novel Auxin Mimic Herbicides". . p. 3533 - 3537. Retrieved 2016/06/01.