3-Chloro-4-hydroxybenzaldehyde

Base Information

• Chemical Name: 3-Chloro-4-hydroxybenzaldehyde
• CAS No.: 2420-16-8
• Molecular Formula: C7H5ClO2
• Molecular Weight: 156.569
• Hs Code.: 29130000
• NSC Number: 85482
• DSSTox Substance ID: DTXSID20178896
• Nikkaji Number: J1.353.821B
• Wikidata: Q69757715
• Mol file: 2420-16-8.mol

Synonyms:3-CHLORO-4-HYDROXYBENZALDEHYDE;2420-16-8;Benzaldehyde, 3-chloro-4-hydroxy-;MFCD00016981;3-chloro-4-hydroxy-benzaldehyde;4-hydroxy-3-chlorobenzaldehyde;3-Chloro-4-hydroxy benzaldehyde;NSC 85482;Benzaldehyde, 3-chloro-4-hydroxy- (8CI)(9CI);NSC85482;NCIOpen2_001178;3-chlor-4-hydroxybenzaldehyde;5-chloro-4-hyroxybenzaldehyde;SCHEMBL115626;5-chloro-4-hydroxybenzaldehyde;VGSOCYWCRMXQAB-UHFFFAOYSA-;DTXSID20178896;NSC-85482;STK199630;3-Chloro-4-hydroxybenzaldehyde, 97%;AKOS000104709;CS-W008817;GS-3326;NCGC00340877-01;SY009040;AM20060567;BB 0217651;C2183;FT-0615405;EN300-49225;AB01333665-02;A817144;J-015394;Z57313902

Chemical Property of 3-Chloro-4-hydroxybenzaldehyde

Chemical Property:

• Appearance/Colour: white to pink solid, powder or crystals
• Vapor Pressure: 0.00363mmHg at 25°C
• Melting Point: 145-147 °C(lit.)
• Refractive Index: 1.632
• Boiling Point: 251.055 °C at 760 mmHg
• PKA: 6.30±0.18(Predicted)
• Flash Point: 105.634 °C
• PSA: 37.30000
• Density: 1.404 g/cm³
• LogP: 1.85810
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Sensitive.: Air Sensitive
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 155.9978071
• Heavy Atom Count: 10
• Complexity: 127

Purity/Quality:

99% ^*data from raw suppliers

3-Chloro-4-hydroxybenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xn,Xi
• Statements: 36/37/38-43-41-37/38-22-20/21/22
• Safety Statements: 26-37/39-36/37/39-36-37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C=O)Cl)O

Technology Process of 3-Chloro-4-hydroxybenzaldehyde

There total 25 articles about 3-Chloro-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: 98.6%

4-hydroxy-benzaldehyde (123-08-0,65581-83-1) → 4-hydroxy-3-chlorobenzaldehyde (2420-16-8)

Guidance literature:

With N-chloro-N-(benzenesulfonyl)benzenesulfonamide; In acetonitrile; at 20 - 25 ℃; for 0.333333h; Green chemistry;

DOI:10.1016/j.tetlet.2020.152689

Reference yield: 87.0%

2-chloro-p-cresol (6640-27-3) → 4-hydroxy-3-chlorobenzaldehyde (2420-16-8)

Guidance literature:

With oxygen; cobalt(II) diacetate tetrahydrate; sodium hydroxide; In ethylene glycol; at 80 ℃; for 9h; under 760.051 Torr;

DOI:10.1039/c4gc00003j

Reference yield: 77.0%

2-chloro-4-(hydroxymethyl)phenol (105960-29-0) → 4-hydroxy-3-chlorobenzaldehyde (2420-16-8)

Guidance literature:

With pyridinium chlorochromate; In ethyl acetate; for 2h; Heating;

DOI:10.1021/jm970589l

upstream raw materials:

formaldehyd

2-monochlorophenol

chloral hydrate

chloroform

Downstream raw materials:

(3-chloro-4-hydroxy-benzylidene)-malonic acid

4-benzyloxy-3-chlorobenzaldehyde

(2S,4S)-2-(4-Acetoxy-3-chloro-phenyl)-3-acetyl-5,5-dimethyl-thiazolidine-4-carboxylic acid

(2R,4S)-2-(3-Chloro-4-hydroxy-phenyl)-5,5-dimethyl-thiazolidine-4-carboxylic acid

Refernces

• 1、 -. "Preparation method of 3-methoxy-4-hydroxybenzaldehyde". Paragraph 0029-0030; 0034-0035; 0039-0040; 0044-0045. . Retrieved 2021/08/06.
• 2、 -. "PRODRUGS OF FUSED-BICYCLIC C5aR ANTAGONISTS". Paragraph 0249. . Retrieved 2019/10/23.