3-Chloro-4-hydroxy-5-methylbenzonitrile

Base Information

• Chemical Name: 3-Chloro-4-hydroxy-5-methylbenzonitrile
• CAS No.: 173900-45-3
• Molecular Formula: C8H6ClNO
• Molecular Weight: 167.595
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID60597623
• Mol file: 173900-45-3.mol

Synonyms:173900-45-3;3-Chloro-5-methyl-4-hydroxybenzonitrile;3-chloro-4-hydroxy-5-methylbenzonitrile;Benzonitrile, 3-chloro-4-hydroxy-5-methyl-;3-Chloro-4-hydroxy-5-methyl-benzonitrile;SCHEMBL1175832;DTXSID60597623;LCZDCHYPSLUZID-UHFFFAOYSA-N;YGA90045;MFCD08689583;AKOS006290006;PB11866;AS-32998;DB-331191;CS-0051415;A811582;3-chloranyl-5-methyl-4-oxidanyl-benzenecarbonitrile;W-206057

Chemical Property of 3-Chloro-4-hydroxy-5-methylbenzonitrile

Chemical Property:

• Boiling Point: 287.9 °C at 760 mmHg
• Flash Point: 127.9 °C
• PSA: 44.02000
• Density: 1.34 g/cm³
• LogP: 2.22568
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 167.0137915
• Heavy Atom Count: 11
• Complexity: 186

Purity/Quality:

98% ^*data from raw suppliers

3-Chloro-4-hydroxy-5-methylbenzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1O)Cl)C#N

Technology Process of 3-Chloro-4-hydroxy-5-methylbenzonitrile

There total 1 articles about 3-Chloro-4-hydroxy-5-methylbenzonitrile 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:

→ 3-chloro-4-hydroxy-5-methylbenzonitrile (173900-45-3)

Guidance literature:

Reference yield:

3-chloro-4-hydroxy-5-methylbenzonitrile (173900-45-3) + tert-butyl 4-bromobutyrate (110661-91-1) → tert-butyl 4-(2-chloro-4-cyano-6-methylphenoxy)butanoate (1391465-56-7)

Guidance literature:

3-chloro-4-hydroxy-5-methylbenzonitrile; With caesium sulfite; In N,N-dimethyl-formamide; at 20 ℃; for 0.5h;

tert-butyl 4-bromobutyrate; at 65 ℃; for 96h;

Reference yield:

3-chloro-4-hydroxy-5-methylbenzonitrile (173900-45-3) + Bromoacetaldehyde diethyl acetal (2032-35-1) → 3-chloro-4-(2,2-diethoxyethoxy)-5-methylbenzonitrile (1391465-33-0)

Guidance literature:

With caesium sulfite; In N,N-dimethyl-formamide; at 80 ℃; for 18h;

Downstream raw materials:

C₁₃H₁₀ClN₃OS

3-chloro-4-(2-chloro-pyrimidin-4-yloxy)-5-methyl-benzonitrile

C₁₃H₉Cl₂N₃O

4-(5-bromo-2-chloro-pyrimidin-4-yloxy)-3-chloro-5-methyl-benzonitrile