2-Chloro-6-methoxybenzonitrile

Base Information

• Chemical Name: 2-Chloro-6-methoxybenzonitrile
• CAS No.: 6575-10-6
• Molecular Formula: C8H6ClNO
• Molecular Weight: 167.595
• Hs Code.: 2926909090
• European Community (EC) Number: 229-500-9
• DSSTox Substance ID: DTXSID00215955
• Nikkaji Number: J225.197C
• Wikidata: Q83092076
• Mol file: 6575-10-6.mol

Synonyms:2-Chloro-6-methoxybenzonitrile;6575-10-6;Benzonitrile, 2-chloro-6-methoxy-;MFCD00019743;2-methoxy-6-chlorobenzonitrile;SCHEMBL5007730;DTXSID00215955;EINECS 229-500-9;AKOS009045776;FS-2769;AC-28610;2-Chloro-6-methoxybenzonitrile, AldrichCPR;CS-0131325;FT-0636185;J-508951

Chemical Property of 2-Chloro-6-methoxybenzonitrile

Chemical Property:

• Melting Point: 98-100°C
• Boiling Point: 294.7 °C at 760 mmHg
• Flash Point: 132 °C
• PSA: 33.02000
• Density: 1.25 g/cm³
• LogP: 2.22028
• Storage Temp.: -20?C Freezer
• Solubility.: Chloroform, Ethyl Acetate
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 167.0137915
• Heavy Atom Count: 11
• Complexity: 174

Purity/Quality:

98%min ^*data from raw suppliers

2-Chloro-6-methoxybenzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C(=CC=C1)Cl)C#N
• Uses: 2-Chloro-6-methoxybenzonitrile (cas# 6575-10-6) is a compound useful in organic synthesis.

Technology Process of 2-Chloro-6-methoxybenzonitrile

There total 6 articles about 2-Chloro-6-methoxybenzonitrile 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: 95.3%

3-chloro-2-cyanophenol (89999-90-6) + methyl iodide (74-88-4) → 2-Chlor-6-methoxybenzoesaeurenitril (6575-10-6)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 0 - 20 ℃; for 18h; Inert atmosphere;

DOI:10.1002/anie.201909492

Reference yield: 89.8%

2-chloro-6-fluorobenzonitrile (668-45-1) + sodium methylate (124-41-4) → 2-Chlor-6-methoxybenzoesaeurenitril (6575-10-6)

Guidance literature:

In methanol; at 85 ℃;

Reference yield: 59.0%

2-chloro-6-fluorobenzonitrile (668-45-1) → 2-Chlor-6-methoxybenzoesaeurenitril (6575-10-6)

Guidance literature:

With sodium methylate; In methanol;

upstream raw materials:

6-chloro-o-anisidine

3-chloro-2-nitroanisole

2-chloro-6-fluorobenzonitrile

3-chloro-2-cyanophenol

Downstream raw materials:

2-chloro-6-methoxybenzoic acid

3-Amino-1-cyano-1-(4-fluoro-phenyl)-4-methoxy-1H-indene-2-carboxylic acid methyl ester

1,7-Dihydroxy-10-methyl-9-acridon

1,7-Dihydroxy-9-acridon