2-Chloronicotinaldehyde oxime

Base Information

• Chemical Name: 2-Chloronicotinaldehyde oxime
• CAS No.: 215872-96-1
• Molecular Formula: C6H5ClN2O
• Molecular Weight: 156.57
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID20430542
• Mol file: 215872-96-1.mol

Synonyms:2-chloronicotinaldehyde oxime;215872-96-1;(NE)-N-[(2-chloropyridin-3-yl)methylidene]hydroxylamine;2-chloronicotinaldehydeoxime;12W-0708;SCHEMBL1202412;(E)-N-[(2-chloropyridin-3-yl)methylidene]hydroxylamine;DTXSID20430542;(E)-2-chloronicotinaldehyde oxime;MFCD04117788;AKOS001064589;EN300-7209435;A919523;J-501849;N-[(2-chloropyridin-3-yl)methylidene]hydroxylamine;Z89270863

Chemical Property of 2-Chloronicotinaldehyde oxime

Chemical Property:

• Melting Point: 165-167°C
• Boiling Point: 276.9±25.0 °C(Predicted)
• PKA: 9.93±0.50(Predicted)
• PSA: 45.48000
• Density: 1.34±0.1 g/cm3(Predicted)
• LogP: 1.54310
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 156.0090405
• Heavy Atom Count: 10
• Complexity: 129

Purity/Quality:

98%min ^*data from raw suppliers

2-Chloronicotinaldehyde oxime >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(N=C1)Cl)C=NO
• Isomeric SMILES: C1=CC(=C(N=C1)Cl)/C=N/O

Technology Process of 2-Chloronicotinaldehyde oxime

There total 1 articles about 2-Chloronicotinaldehyde oxime 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: 73.0%

2-chloro-3-carbaldehydepyridine (36404-88-3) → 2-chloropyrid-3-ylcarboxaldehyde oxime (215872-96-1)

Guidance literature:

2-chloro-3-carbaldehydepyridine; With sodium hydroxide; hydroxylamine hydrochloride; In ethanol; water; at 0 - 20 ℃; for 18h;

With hydrogenchloride; In ethanol; water; pH=7;

upstream raw materials:

2-chloro-3-carbaldehydepyridine

Refernces

• 1、 -. "4-(PYRID-2-YL) AMINO SUBSTITUTED PYRIMIDINE AS PROTEIN KINASE INHIBITORS". Page/Page column 89-90. . Retrieved 2008/06/13.
• 2、 -. "4-(PYRAZOL-3-YLAMINO) PYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER". Page/Page column 215. . Retrieved 2008/06/13.