2-Chloro-3-cyanobenzaldehyde

Base Information

• Chemical Name: 2-Chloro-3-cyanobenzaldehyde
• CAS No.: 165187-24-6
• Molecular Formula: C8H4ClNO
• Molecular Weight: 165.58
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID10474819
• Wikidata: Q82304950
• Mol file: 165187-24-6.mol

Synonyms:2-Chloro-3-cyanobenzaldehyde;165187-24-6;2-CHLORO-3-FORMYLBENZONITRILE;Benzonitrile, 2-chloro-3-formyl-;2-Chloro-3-cyano-benzaldehyde;SCHEMBL2895077;DTXSID10474819;MVYGQIWGZGMFAU-UHFFFAOYSA-N;CL8264;MFCD08460147;AKOS006289241;CS-W021636;GS-4013;2-chloro-3-cyanobenzaldehyde, AldrichCPR;A810627;J-508659;4-Fluoro-Phenyl-4-Trans-EthylcyclohexylBenzoate,2FhbpeC15H17O2F

Chemical Property of 2-Chloro-3-cyanobenzaldehyde

Chemical Property:

• Vapor Pressure: 0.021mmHg at 25°C
• Refractive Index: 1.573
• Boiling Point: 250.862 °C at 760 mmHg
• Flash Point: 105.518 °C
• PSA: 40.86000
• Density: 1.328 g/cm³
• LogP: 2.02418
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 164.9981414
• Heavy Atom Count: 11
• Complexity: 196

Purity/Quality:

97% ^*data from raw suppliers

2-Chloro-3-cyanobenzaldehyde ^*data from reagent suppliers

Safty Information:

• Statements: 43
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Chloro-3-cyanobenzaldehyde

There total 1 articles about 2-Chloro-3-cyanobenzaldehyde 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:

→ 2-chloro-3-cyano-benzaldehyde (165187-24-6)

Guidance literature:

Reference yield: 77.4%

2-chloro-3-cyano-benzaldehyde (165187-24-6) + (R)-6-(3-((3-fluorobenzyl)amino)propyl)-1,1,5-trimethylcyclohex-4-en-3-one → (R)-2-chloro-3-(((3-fluorobenzyl)(3-(1,1,5-trimethyl-3-oxocyclohex- 4-en-6-yl)propyl)amino)methyl)benzonitrile

Guidance literature:

With sodium cyanoborohydride; zinc(II) chloride; In methanol; water; at 0 - 20 ℃;

DOI:10.1002/cmdc.202100072

Reference yield: 62.0%

2-chloro-3-cyano-benzaldehyde (165187-24-6) + Methyl thioglycolate (2365-48-2) → methyl 7-cyanobenzo[b]thiophene-2-carboxylate (550998-65-7)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 28 - 70 ℃;

Downstream raw materials:

7-cyanobenzo[b]thiophene-2-carboxylic acid

methyl 7-methoxybenzothiophene-2-carboxylate

7-methoxybenzothiophene-2-carboxylic acid

methyl 7-cyanobenzo[b]thiophene-2-carboxylate

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