2-Chloro-5-fluoro-4-methylbenzoic acid

Base Information

• Chemical Name: 2-Chloro-5-fluoro-4-methylbenzoic acid
• CAS No.: 103877-61-8
• Molecular Formula: C8H6ClFO2
• Molecular Weight: 188.586
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID40545980
• Wikidata: Q72450896
• Mol file: 103877-61-8.mol

Synonyms:2-chloro-5-fluoro-4-methylbenzoic acid;103877-61-8;2-Chloro-5-fluoro-4-methyl-benzoic acid;SCHEMBL448497;DTXSID40545980;WUQWRURRTPWWGH-UHFFFAOYSA-N;CL8980;MFCD18426003;2-chloro-5-fluoro-4-methylbenzoicacid;AKOS022642932;AS-46160;CS-0217386;EN300-7413801;Z1255402558

Chemical Property of 2-Chloro-5-fluoro-4-methylbenzoic acid

Chemical Property:

• Boiling Point: 302.3±37.0 °C(Predicted)
• PKA: 2.79±0.25(Predicted)
• Density: 1.403
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 188.0040353
• Heavy Atom Count: 12
• Complexity: 186

Purity/Quality:

98%min ^*data from raw suppliers

2-Chloro-5-fluoro-4-methylbenzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1F)C(=O)O)Cl

Technology Process of 2-Chloro-5-fluoro-4-methylbenzoic acid

There total 2 articles about 2-Chloro-5-fluoro-4-methylbenzoic acid 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:

2-chloro-5-fluoro-4-methyl-benzoic acid methyl ester (1095005-98-3) → 2-chloro-5-fluoro-4-methyl-benzoic acid (103877-61-8)

Guidance literature:

With sodium hydroxide; In methanol;

Reference yield:

1-bromo-2-chloro-5-fluoro-4-methylbenzene (201849-17-4) → 2-chloro-5-fluoro-4-methyl-benzoic acid (103877-61-8)

Guidance literature:

Multi-step reaction with 2 steps

1: N-ethyl-N,N-diisopropylamine / ethyl acetate; 2-Methylpentane; methanol

2: sodium hydroxide / methanol

With sodium hydroxide; N-ethyl-N,N-diisopropylamine; In methanol; 2-Methylpentane; ethyl acetate;

Reference yield:

2-chloro-5-fluoro-4-methyl-benzoic acid (103877-61-8) → 2-chloro-5-fluoro-4-methyl-3-nitro-benzoic acid (103877-62-9)

Guidance literature:

With potassium nitrate; In conc sulfuric acid;

upstream raw materials:

2-chloro-5-fluoro-4-methyl-benzoic acid methyl ester

1-bromo-2-chloro-5-fluoro-4-methylbenzene

Downstream raw materials:

2-chloro-5-fluoro-4-methyl-3-nitro-benzoic acid

2-chloro-5-fluoro-4-methyl-3-nitro-benzoic acid methyl ester

3-amino-5-fluoro-4-methyl-benzoic acid methyl ester

3-[(cyanomethyl)amino]-5-fluoro-4-methyl-benzoic acid, methyl ester