2-Chloro-3,4-dimethoxybenzonitrile

Base Information

• Chemical Name: 2-Chloro-3,4-dimethoxybenzonitrile
• CAS No.: 119413-61-5
• Molecular Formula: C₉H₈ClNO₂
• Molecular Weight: 197.621
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID20379407
• Nikkaji Number: J1.527.442E
• Wikidata: Q82169188
• Mol file: 119413-61-5.mol

Synonyms:2-chloro-3,4-dimethoxybenzonitrile;119413-61-5;2-Chloro-3,4-dimethoxybenzenecarbonitrile;DTXSID20379407;JS-159C;?2-Chloro-3,4-dimethoxybenzonitrile;2-chloro-3,4-dimethoxy-benzonitrile;MFCD00173893;AKOS005072987;Butanoic acid, 1-phenylethyl ester (9CI);CS-0215500;FT-0611710;2-chloranyl-3,4-dimethoxy-benzenecarbonitrile;EN300-254552;A804278;A804339;J-508631;Z1142739380

Chemical Property of 2-Chloro-3,4-dimethoxybenzonitrile

Chemical Property:

• Vapor Pressure: 0.000769mmHg at 25°C
• Melting Point: 101 ºC
• Refractive Index: 1.538
• Boiling Point: 306.5 ºC at 760 mmHg
• Flash Point: 139.2 ºC
• PSA: 42.25000
• Density: 1.26 g/cm³
• LogP: 2.22888
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 197.0243562
• Heavy Atom Count: 13
• Complexity: 213

Purity/Quality:

97% ^*data from raw suppliers

2-Chloro-3,4-dimethoxybenzenecarbonitrile >95% ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C(=C(C=C1)C#N)Cl)OC

Technology Process of 2-Chloro-3,4-dimethoxybenzonitrile

There total 1 articles about 2-Chloro-3,4-dimethoxybenzonitrile 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: 85.0%

2-chloro-3,4-dimethoxybenzaldehyde (5417-17-4) → 2-chloro-3,4-dimethoxy benzonitrile (119413-61-5)

Guidance literature:

With trimethylsilylazide; zirconium(IV) chloride; In acetonitrile; at 20 ℃; for 0.333333h;

DOI:10.1021/acs.joc.5b01305

upstream raw materials:

2-chloro-3,4-dimethoxybenzaldehyde