3,5-Dichloro-4-hydroxybenzaldehyde

Base Information

• Chemical Name: 3,5-Dichloro-4-hydroxybenzaldehyde
• CAS No.: 2314-36-5
• Molecular Formula: C7H4Cl2O2
• Molecular Weight: 191.014
• Hs Code.: 2913000090
• European Community (EC) Number: 823-616-9
• NSC Number: 31590
• DSSTox Substance ID: DTXSID20177708
• Nikkaji Number: J80.452E
• Wikidata: Q72466398
• Mol file: 2314-36-5.mol

Synonyms:3,5-DICHLORO-4-HYDROXYBENZALDEHYDE;2314-36-5;Benzaldehyde, 3,5-dichloro-4-hydroxy-;3,5-Dichloro-4-hydroxy-benzaldehyde;MFCD00017605;Benzaldehyde, 3,?5-?dichloro-?4-?hydroxy-;Benzaldehyde,3,5-dichloro-4-hydroxy-;NSC31590;SCHEMBL574999;DTXSID20177708;Benzaldehyde,5-dichloro-4-hydroxy-;NSC 31590;NSC-31590;STK198692;AKOS000291227;AM82978;CS-W006820;NCGC00340803-01;1-formyl-3,5-dichloro-4-hydroxy-benzene;DS-16729;SY018866;FT-0614541;3,5-dichloro-4-hydroxybenzaldehyde, AldrichCPR;EN300-307613;AB01333405-02;A816587;AH-487/13096001;W-206814;Z57313907;2-MERCAPTO-5-SULFONYL-BENZIMIDAZOLE,POTASSIUMSALT

Chemical Property of 3,5-Dichloro-4-hydroxybenzaldehyde

Chemical Property:

• Vapor Pressure: 0.00945mmHg at 25°C
• Melting Point: 154 °C
• Refractive Index: 1.643
• Boiling Point: 256.7 °C at 760 mmHg
• PKA: 4.85±0.23(Predicted)
• Flash Point: 109 °C
• PSA: 37.30000
• Density: 1.547 g/cm³
• LogP: 2.51150
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 189.9588348
• Heavy Atom Count: 11
• Complexity: 139

Purity/Quality:

99% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1Cl)O)Cl)C=O

Technology Process of 3,5-Dichloro-4-hydroxybenzaldehyde

There total 14 articles about 3,5-Dichloro-4-hydroxybenzaldehyde 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: 99.0%

4-hydroxy-benzaldehyde (123-08-0,65581-83-1) → 3,5-dichloro-4-hydroxybenzaldehyde (2314-36-5)

Guidance literature:

With hydrogen; In water; at 25 ℃; for 1h;

Reference yield: 97.4%

4-hydroxy-benzaldehyde (123-08-0,65581-83-1) → 3,5-dichloro-4-hydroxybenzaldehyde (2314-36-5)

Guidance literature:

With N-chloro-N-(benzenesulfonyl)benzenesulfonamide; In acetonitrile; at 20 - 25 ℃; for 0.666667h; Green chemistry;

DOI:10.1016/j.tetlet.2020.152689

Reference yield: 92.0%

3,5-dichloro-4-hydroxybenzyl alcohol (22002-17-1) → 3,5-dichloro-4-hydroxybenzaldehyde (2314-36-5)

Guidance literature:

With 2,3-dicyano-5,6-dichloro-p-benzoquinone; In 1,4-dioxane; for 16h; Ambient temperature;

DOI:10.1021/jo01297a010

upstream raw materials:

2,6-Dichlorophenol

chloroform

4-hydroxy-benzaldehyde

2-nitropropane

Downstream raw materials:

3,5-dichloro-trans-stilben-4-ol

(3,5-dichloro-4-hydroxy-benzylidene)-malonic acid

3t-(3,5-dichloro-4-hydroxy-phenyl)-2-phenyl-acrylic acid

3,5-dichloro-4-hydroxy-benzaldehyde-thiosemicarbazone

Refernces

• 1、 Chen, Chun,Gong, Wanbing,Han, Miaomiao,Wang, Dongdong,Wang, Guozhong,Zhang, Haimin,Zhang, Jifang,Zhang, Yunxia,Zhao, Huijun. "Encapsulated Ni-Co alloy nanoparticles as efficient catalyst for hydrodeoxygenation of biomass derivatives in water". . p. 2027 - 2037. Retrieved 2021/09/02.
• 2、 Misal, Balu,Palav, Amey,Ganwir, Prerna,Chaturbhuj, Ganesh. "Activator free, expeditious and eco-friendly chlorination of activated arenes by N-chloro-N-(phenylsulfonyl)benzene sulfonamide (NCBSI)". supporting information. . Retrieved 2021/01/04.