2-Chloro-5-methylbenzoic acid

Base Information

• Chemical Name: 2-Chloro-5-methylbenzoic acid
• CAS No.: 6342-60-5
• Molecular Formula: C8H7ClO2
• Molecular Weight: 170.595
• Hs Code.: 29163990
• NSC Number: 46623
• DSSTox Substance ID: DTXSID70286591
• Nikkaji Number: J1.780.157K
• Wikidata: Q72453674
• Mol file: 6342-60-5.mol

Synonyms:2-CHLORO-5-METHYLBENZOIC ACID;6342-60-5;Benzoic acid, 2-chloro-5-methyl-;6-Chloro-m-toluic Acid;MFCD00045798;2-chloro-5-methylbenzole acid;NSC46623;2-CHLORO-5-METHYLBENZOICACID;SCHEMBL306765;2-Chloro-5-methylbenozic acid;2-chloro-5-methyl-benzoic acid;LEBWXJZAWTVKFL-UHFFFAOYSA-;DTXSID70286591;CL8041;NSC 46623;NSC-46623;AKOS000298655;CS-W008213;FS-2540;AC-26026;SY012919;2-Chloro-5-methylbenzoic acid, AldrichCPR;AM20060267;C1780;FT-0636105;A20226;EN300-107786;F0001-1723

Chemical Property of 2-Chloro-5-methylbenzoic acid

Chemical Property:

• Appearance/Colour: off-white to beige powder
• Vapor Pressure: 0.000904mmHg at 25°C
• Melting Point: 148-151 °C
• Boiling Point: 291.3 °C at 760 mmHg
• PKA: 2.98±0.25(Predicted)
• Flash Point: 129.9 °C
• PSA: 37.30000
• Density: 1.31 g/cm³
• LogP: 2.34660
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 170.0134572
• Heavy Atom Count: 11
• Complexity: 158

Purity/Quality:

99.5% ^*data from raw suppliers

2-Chloro-5-methylbenzoic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,N
• Statements: 36/37/38-51/53-41
• Safety Statements: 37/39-26-61

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Chloro-5-methylbenzoic acid

There total 8 articles about 2-Chloro-5-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-methyl-benzoic acid (6342-60-5)

Guidance literature:

With hydrogenchloride; copper(l) chloride;

DOI:10.1021/ja01137a017

Reference yield:

2'-chloro-5-methylacetophenone (73129-52-9) → 2-chloro-5-methyl-benzoic acid (6342-60-5)

Guidance literature:

With nitric acid;

Reference yield:

para-chlorotoluene (106-43-4) → 2-chloro-5-methyl-benzoic acid (6342-60-5)

Guidance literature:

Multi-step reaction with 2 steps

1: AlCl₃

2: permanganate

With aluminium trichloride; permanganate(VII) ion;

upstream raw materials:

para-chlorotoluene

2'-chloro-5-methylacetophenone

2-Amino-5-methylbenzoic acid

oxalyl dichloride

Downstream raw materials:

2-chloro-5-methyl-benzoyl chloride

5-bromomethyl-2-chloro-benzoic acid

2-chloro-5-(hydroxymethyl)benzoic acid