3,5-Dichloro-4-hydroxybenzoic acid

Base Information

• Chemical Name: 3,5-Dichloro-4-hydroxybenzoic acid
• CAS No.: 3336-41-2
• Molecular Formula: C7H4Cl2O3
• Molecular Weight: 207.013
• Hs Code.: 29182900
• European Community (EC) Number: 222-071-9
• NSC Number: 21185
• UNII: Y8BF62TK9Q
• DSSTox Substance ID: DTXSID60186975
• Nikkaji Number: J73.944H
• Wikidata: Q27124163
• Metabolomics Workbench ID: 58707
• Mol file: 3336-41-2.mol

Synonyms:3,5-Dichloro-4-hydroxybenzoic acid;3336-41-2;DiClHBz;BENZOIC ACID, 3,5-DICHLORO-4-HYDROXY-;3,5-Dichloro-4-hydroxy-benzoic acid;AI3-33354;EINECS 222-071-9;MFCD00002550;NSC 21185;BRN 2616297;CHEBI:53685;NSC-21185;3,5-Dichloro-4-hydroxybenzoicacid;NSC21185;ph-COOH;Epitope ID:122960;Y8BF62TK9Q;SCHEMBL737305;3,5-dichloro-p-salicylic acid;DTXSID60186975;AMY25145;3.5-dichloro-4-hydroxybenzoic acid;Benzoic acid,5-dichloro-4-hydroxy-;STK519623;4-hydroxy-3,5-dichloro-benzoic acid;AKOS000268873;AC-2673;CS-W005243;NCGC00342957-01;AS-12292;LS-36828;SY002505;3,5-Dichloro-4-hydroxybenzoic acid, 97%;D0373;FT-0614542;EN300-07242;AB01334882-02;A821744;SR-01000047708;Q-100407;SR-01000047708-1;Q27124163;FGZ

Chemical Property of 3,5-Dichloro-4-hydroxybenzoic acid

Chemical Property:

• Appearance/Colour: White to light yellow crystal powder
• Vapor Pressure: 7.79E-05mmHg at 25°C
• Melting Point: 264-266 °C(lit.)
• Refractive Index: 1.4845 (estimate)
• Boiling Point: 328.2 °C at 760 mmHg
• PKA: 3.83±0.10(Predicted)
• Flash Point: 152.3 °C
• PSA: 57.53000
• Density: 1.665 g/cm³
• LogP: 2.39720
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 205.9537494
• Heavy Atom Count: 12
• Complexity: 174

Purity/Quality:

99% ^*data from raw suppliers

3,5-Dichloro-4-hydroxybenzoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1Cl)O)Cl)C(=O)O
• Uses: 3,5-Dichloro-4-hydroxybenzoic Acid can be used as cyclin dependent kinase inhibitors to treat cell proliferative disorders, such as, cancer.

Technology Process of 3,5-Dichloro-4-hydroxybenzoic acid

There total 25 articles about 3,5-Dichloro-4-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: 70.0%

(2,6-dichlorophenoxy)triethylsilane + carbon dioxide (124-38-9,18923-20-1) → 3,5-dichloro-4-hydroxybenzoic acid (3336-41-2) + 2,4-dichloro-3-hydroxybenzoic acid (91658-93-4)

Guidance literature:

(2,6-dichlorophenoxy)triethylsilane; With sec.-butyllithium; In tetrahydrofuran; cyclohexane; at -75 ℃; for 0.75h;

carbon dioxide; In tetrahydrofuran; cyclohexane;

DOI:10.1002/ejoc.200600350

Reference yield: 68.0%

4-hydroxy-benzoic acid (99-96-7) → 3,5-dichloro-4-hydroxybenzoic acid (3336-41-2)

Guidance literature:

With hydrogenchloride; dihydrogen peroxide; acetic acid; In water; at 60 ℃; for 4h; Solvent;

DOI:10.1021/op9800515

Reference yield:

ethyl 3,5-dichloro-4-hydroxybenzoate (17302-82-8) → 3,5-dichloro-4-hydroxybenzoic acid (3336-41-2)

Guidance literature:

With potassium hydroxide;

DOI:10.1207/S15327558IJBM0803_5

upstream raw materials:

3,5-dichloro-4-methoxybenzoic acid

3-chloro-4-hydroxybenzoic acid

ethyl 3,5-dichloro-4-hydroxybenzoate

2-hydroxyl-5-carboxylbenzenesulfonic acid

Downstream raw materials:

2,6-Dichlorophenol

chlorure de dichloro-3,5 hydroxy-4 benzoyle

methyl 3,5-dichloro-4-methoxybenzoate

3,5-dichloro-4-hydroxybenzyl alcohol

Refernces

• 1、 Derkach,Novikova,Gorecka. "Banana-shaped liquid crystals based on 2,7-dihydroxynaphthalene derivatives". . p. 577 - 583. Retrieved 2015.
• 2、 Mukhopadhyay,Chandalia. "Oxidative chlorination, desulphonation, or decarboxylation to synthesize pharmaceutical intermediates: 2,6-Dichlorotoluene, 2,6-dichloroaniline, and 2,6-dichlorophenol". . p. 10 - 16. Retrieved 2013/09/08.