6-Chloro-2-fluoro-3-methylbenzoic acid

Base Information

• Chemical Name: 6-Chloro-2-fluoro-3-methylbenzoic acid
• CAS No.: 32890-90-7
• Molecular Formula: C8H6ClFO2
• Molecular Weight: 188.586
• Hs Code.: 2916399090
• European Community (EC) Number: 630-022-1
• DSSTox Substance ID: DTXSID50954549
• Wikidata: Q82933821
• Mol file: 32890-90-7.mol

Synonyms:6-chloro-2-fluoro-3-methylbenzoic acid;32890-90-7;6-CHLORO-2-FLUORO-3-METHYLBENZOICACID;6-chloro-2-fluoro-3-methyl-benzoic Acid;SCHEMBL3829091;DTXSID50954549;HLQCBMOWEQKVBL-UHFFFAOYSA-N;MFCD01631369;AKOS005257967;AS-35870;CS-0313019;FT-0621031;A821494;4122-27-4

Chemical Property of 6-Chloro-2-fluoro-3-methylbenzoic acid

Chemical Property:

• Appearance/Colour: White powder
• Vapor Pressure: 0.00188mmHg at 25°C
• Melting Point: 135-136 °C
• Refractive Index: 1.551
• Boiling Point: 279.7 °C at 760 mmHg
• PKA: 2.05±0.25(Predicted)
• Flash Point: 123 °C
• PSA: 37.30000
• Density: 1.403 g/cm³
• LogP: 2.48570
• Storage Temp.: 2-8°C
• 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% ^*data from raw suppliers

6-Chloro-2-fluoro-3-methylbenzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=C(C=C1)Cl)C(=O)O)F

Technology Process of 6-Chloro-2-fluoro-3-methylbenzoic acid

There total 1 articles about 6-Chloro-2-fluoro-3-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:

→ 6-chloro-2-fluoro-3-methylbenzoic acid (32890-90-7)

Guidance literature:

4-Chlor-2-fluortoluol, BuLi, Trockeneis;

Reference yield: 87.0%

6-chloro-2-fluoro-3-methylbenzoic acid (32890-90-7) + methyl iodide (74-88-4) → methyl 6-chloro-2-fluoro-3-methylbenzoate

Guidance literature:

With caesium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 2h; Inert atmosphere;

Reference yield:

oxalyl dichloride (79-37-8) + 6-chloro-2-fluoro-3-methylbenzoic acid (32890-90-7) → 2-chloro-5-methyl-6-fluorobenzamide (286474-61-1)

Guidance literature:

oxalyl dichloride; 6-chloro-2-fluoro-3-methylbenzoic acid; N,N-dimethyl-formamide; In dichloromethane;

With ammonia; In water; at 0 ℃;

Downstream raw materials:

2-chloro-5-methyl-6-fluorobenzamide

C₂₀H₁₄ClFN₂OS