4-Chloro-2-hydroxybenzonitrile

Base Information

• Chemical Name: 4-Chloro-2-hydroxybenzonitrile
• CAS No.: 30818-28-1
• Molecular Formula: C7H4ClNO
• Molecular Weight: 153.568
• Hs Code.: 2926909090
• European Community (EC) Number: 695-767-7
• DSSTox Substance ID: DTXSID60392519
• Wikidata: Q82190842
• Mol file: 30818-28-1.mol

Synonyms:4-chloro-2-hydroxybenzonitrile;30818-28-1;Benzonitrile, 4-chloro-2-hydroxy-;4-chloro-2-hydroxy-benzonitrile;MFCD00234255;Benzonitrile, 4-?chloro-?2-?hydroxy-;5-CHLORO-2-CYANOPHENOL;2-Cyano-5-chlorophenol;5-chloro-2-cyano-phenol;2-hydroxy-4-chlorobenzonitrile;SCHEMBL4254480;DTXSID60392519;SMUWKRUWTDAYKS-UHFFFAOYSA-N;AMY28365;CL8918;AKOS012394979;CCG-302549;CS-W022140;DS-1391;FS-3426;MB01011;SY110896;A5630;FT-0729596;EN300-108821;Z1082858088

Chemical Property of 4-Chloro-2-hydroxybenzonitrile

Chemical Property:

• PSA: 44.02000
• LogP: 1.91728
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 152.9981414
• Heavy Atom Count: 10
• Complexity: 162

Purity/Quality:

97% ^*data from raw suppliers

4-Chloro-2-hydroxybenzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)O)C#N
• Uses: 4-Chloro-2-hydroxybenzonitrile

Technology Process of 4-Chloro-2-hydroxybenzonitrile

There total 12 articles about 4-Chloro-2-hydroxybenzonitrile 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: 90.0%

ethyl 6-chloro-1,2-benzisoxazole-3-carboxylate (203259-52-3) → 5-chloro-2-cyanophenol (30818-28-1)

Guidance literature:

With sodium hydroxide; In ethanol; for 0.5h; Heating;

DOI:10.1248/cpb.46.84

Reference yield: 88.0%

ethyl α-hydroxyimino-2,4-dichlorophenylacetate → 5-chloro-2-cyanophenol (30818-28-1)

Guidance literature:

With potassium hydroxide; In dimethyl sulfoxide; at 120 - 130 ℃; for 0.166667h;

DOI:10.1248/cpb.46.84

Reference yield:

4-chlorosalicylaldehyde (2420-26-0) → 5-chloro-2-cyanophenol (30818-28-1)

Guidance literature:

With sodium azide; chloroform; sulfuric acid;

upstream raw materials:

4-chlorosalicylaldehyde

6-chlorobenzo[d]isoxazole-3-carboxylic acid

6-chloro-benz[d]isoxazole-3-carboxylic acid methyl ester

ethyl 6-chloro-1,2-benzisoxazole-3-carboxylate

Downstream raw materials:

[3-(5-Chloro-2-cyanophenoxy)-3-(2-thiazolyl)propyl]methylcarbamic acid 1,1-dimethylethyl ester

4-chloro-2-{[(1R)-3-chloro-1-phenylpropyl]oxy}benzonitrile

4-Chloro-2-[[(1R)-3-chloro-1-(2-thienyl)propyl]oxy]benzonitrile

[3-(6-Bromo-3-pyridinyl)-3-(5-chloro-2-cyanophenoxy)propyl]carbamic acid 1,1-dimethylethyl ester