2-Chloro-5-hydroxybenzoic acid

Base Information

• Chemical Name: 2-Chloro-5-hydroxybenzoic acid
• CAS No.: 56961-30-9
• Molecular Formula: C7H5ClO3
• Molecular Weight: 172.568
• Hs Code.: 29182900
• European Community (EC) Number: 629-948-9
• DSSTox Substance ID: DTXSID90332488
• Nikkaji Number: J2.158.994B
• Wikidata: Q72451772
• Mol file: 56961-30-9.mol

Synonyms:2-Chloro-5-hydroxybenzoic acid;56961-30-9;Benzoic acid, 2-chloro-5-hydroxy-;C7H5ClO3;2-chloro-5-hydroxy-benzoic acid;MFCD04038818;2-chloro-5-hydroxybenzoicacid;2-Chloro-5-hydroxybenzene carboxylic acid;2-Chloro-5-hydroxybenzenecarboxylic acid;SCHEMBL201278;DTXSID90332488;6-Chlor-3-Oxybenzol-1-Carbonsaure;CL8039;AKOS005257970;CS-W007855;FS-2095;AM808243;A8135;C2724;FT-0682366;EN300-179322;J-508843;Z1201622697

Chemical Property of 2-Chloro-5-hydroxybenzoic acid

Chemical Property:

• Vapor Pressure: 5.92E-06mmHg at 25°C
• Melting Point: 178-180 °C
• Refractive Index: 1.629
• Boiling Point: 364.5 °C at 760 mmHg
• PKA: 2.78±0.25(Predicted)
• Flash Point: 174.3 °C
• PSA: 57.53000
• Density: 1.536 g/cm³
• LogP: 1.74380
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 171.9927217
• Heavy Atom Count: 11
• Complexity: 160

Purity/Quality:

99% ^*data from raw suppliers

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

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1O)C(=O)O)Cl
• Uses: 2-Chloro-5-hydroxybenzoic Acid acts as a reagent for the synthesis, structure-activity relationship, and biological evaluation of a series of benzamides as potential multireceptor antipsychotics.

Technology Process of 2-Chloro-5-hydroxybenzoic acid

There total 16 articles about 2-Chloro-5-hydroxybenzoic 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: 98.0%

2-chloro-5-aminobenzoic acid (89-54-3) → 2-chloro-5-hydroxybenzoic acid (56961-30-9)

Guidance literature:

2-chloro-5-aminobenzoic acid; With sulfuric acid; sodium nitrite; In water; at 0 - 5 ℃; for 1h;

With water; at 100 ℃; for 0.5h;

DOI:10.1016/j.tet.2017.10.075

Reference yield: 83.0%

2-chloro-5-iodobenzoic acid (19094-56-5) → 2-chloro-5-hydroxybenzoic acid (56961-30-9)

Guidance literature:

With copper(I) oxide; 1D-1-O-Methyl-muco-inostol; sodium hydroxide; In water; at 100 ℃; for 6h;

Reference yield: 76.0%

methyl (2-chloro-5-methoxy)benzoate (54810-63-8) → 2-chloro-5-hydroxybenzoic acid (56961-30-9)

Guidance literature:

With lithium hydroxide; In tetrahydrofuran; Reflux;

upstream raw materials:

4-Chloro-3-methylphenol

2-chloro-5-aminobenzoic acid

ethyl-3-hydroxybenzoate

2-chloro-5-methoxybenzoic acid

Downstream raw materials:

2-chloro-5-hydroxy-benzoic acid isopentyl ester

2-chloro-5-hydroxybenzoic acid ethyl ester

Refernces

• 1、 -. "ADAMANTANYL-SUBSTITUTED BENZAMIDE COMPOUNDS AND THEIR USE AS P2X7 RECEPTOR ANTAGONISTS". Page/Page column 20; 24. . Retrieved 2020/03/15.
• 2、 -. "Application of quebrachitol in hydrolysis reaction of copper-catalyzed aryl halide". Paragraph 0048-0050. . Retrieved 2019/07/16.