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

Base Information

• Chemical Name: 2-Chloro-6-fluoro-3-methylbenzoic acid
• CAS No.: 32890-89-4
• Molecular Formula: C8H6ClFO2
• Molecular Weight: 188.586
• Hs Code.: 2916399090
• European Community (EC) Number: 630-021-6
• DSSTox Substance ID: DTXSID10378626
• Wikidata: Q72450892
• Mol file: 32890-89-4.mol

Synonyms:2-Chloro-6-fluoro-3-methylbenzoic acid;32890-89-4;2-chloro-6-fluoro-3-methyl-benzoic Acid;Benzoic acid, 2-chloro-6-fluoro-3-methyl-;MFCD01631359;SCHEMBL2430970;AMY6376;DTXSID10378626;VCNCNVOMGXWTBZ-UHFFFAOYSA-N;BBL101322;STL555118;methyl 2-chloro-6-fluorobenzoic acid;AKOS005258437;2-Chloro-6-fluoro-3-methylbenzoicacid;PS-8434;CS-0195214;FT-0611846;2-chloranyl-6-fluoranyl-3-methyl-benzoic acid;EN300-209583;A821493

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

Chemical Property:

• Vapor Pressure: 0.00209mmHg at 25°C
• Melting Point: 116-118 °C
• Refractive Index: 1.551
• Boiling Point: 278.1 °C at 760 mmHg
• Flash Point: 122 °C
• PSA: 37.30000
• Density: 1.403g/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:

97% ^*data from raw suppliers

2-Chloro-6-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)F)C(=O)O)Cl

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

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

→ 2-chloro-6-fluoro-3-methylbenzoic acid (32890-89-4)

Guidance literature:

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

Reference yield: 46.0%

2-chloro-6-fluoro-3-methylbenzoic acid (32890-89-4) → 2-chloro-6-fluoro-3-methylaniline (886501-03-7)

Guidance literature:

2-chloro-6-fluoro-3-methylbenzoic acid; With diphenyl phosphoryl azide; triethylamine; In tetrahydrofuran; at 25 ℃; for 4h; Reflux;

With water; In tetrahydrofuran; for 1h; Reflux;

Reference yield:

2-chloro-6-fluoro-3-methylbenzoic acid (32890-89-4) + ethyl 6,6-dimethyl-3-[1-(trimethylsilyl)cyclobutanecarboxamido]-5,6-dihydro pyrrolo[3,4-c]pyrazole-2(4H)-carboxylate → ethyl 5-[(2-chloro-6-fluoro-3-methylphenyl)carbamoyl]-6,6-dimethyl-3-[1-(trimethylsilyl)cyclobutanecarboxamido]-5,6-dihydropyrrolo[3,4-c]pyrazole-2(4H)-carboxylate

Guidance literature:

2-chloro-6-fluoro-3-methylbenzoic acid; With diphenyl phosphoryl azide; N-ethyl-N,N-diisopropylamine; In toluene; at 20 - 100 ℃; for 1.5h; Inert atmosphere;

ethyl 6,6-dimethyl-3-[1-(trimethylsilyl)cyclobutanecarboxamido]-5,6-dihydro pyrrolo[3,4-c]pyrazole-2(4H)-carboxylate; In 1,4-dioxane; toluene; at 20 ℃; for 2h;

Downstream raw materials:

2-chloro-6-fluoro-3-methylbenzoyl chloride

2-chloro-6-fluoro-3-methylaniline

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