4-Fluoro-benzaldehyde oxime

Base Information

• Chemical Name: 4-Fluoro-benzaldehyde oxime
• CAS No.: 459-23-4
• Molecular Formula: C7H6FNO
• Molecular Weight: 139.129
• Hs Code.: 2928000090
• European Community (EC) Number: 636-933-0
• DSSTox Substance ID: DTXSID601024897
• Mol file: 459-23-4.mol

Synonyms:p-Fluorobenzaldehyde oxime;459-23-4;7304-35-0;MFCD00133101;4-fluoro-benzaldehyde oxime;DTXSID601024897;SY079938;FT-0618505;FT-0698431

Chemical Property of 4-Fluoro-benzaldehyde oxime

Chemical Property:

• Vapor Pressure: 0.27mmHg at 25°C
• Melting Point: 82-85 °C
• Refractive Index: 1.505
• Boiling Point: 194.9 °C at 760 mmHg
• PKA: 10.58±0.10(Predicted)
• Flash Point: 71.7 °C
• PSA: 32.59000
• Density: 1.14 g/cm³
• LogP: 1.63380
• Storage Temp.: 2-8°C
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 139.043341977
• Heavy Atom Count: 10
• Complexity: 119

Purity/Quality:

98%min ^*data from raw suppliers

4-FluorobenzaldehydeOxime ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,Xn
• Hazard Codes: Xn,Xi
• Statements: 22
• Safety Statements: 36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C=NO)F

Technology Process of 4-Fluoro-benzaldehyde oxime

There total 19 articles about 4-Fluoro-benzaldehyde 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: 100.0%

4-fluorobenzaldehyde (459-57-4) → 4-fluorobenzaldoxime (459-23-4,7304-35-0)

Guidance literature:

With sodium hydroxide; hydroxyamino hydrochloride; In ethanol; for 3h;

DOI:10.1021/jm020248u

Reference yield: 99.0%

4-fluorobenzaldehyde (459-57-4) → (E)-4-fluorobenzaldehyde oxime (459-23-4,7304-35-0)

Guidance literature:

With hydroxylamine hydrochloride; sodium acetate; In methanol; for 1h;

Reference yield: 97.0%

(±)-2-[(4-fluorobenzyl)oxy]tetrahydropyran (18539-44-1) → 4-fluorobenzaldoxime (459-23-4,7304-35-0)

Guidance literature:

With trichloroisocyanuric acid; hydroxylamine hydrochloride; In neat (no solvent); at 110 ℃; for 0.5h; Green chemistry;

DOI:10.1080/10426507.2014.990015

upstream raw materials:

fluorobenzene

nitromethane

Nitroethane

4-fluorobenzaldehyde

Downstream raw materials:

syn-4-fluorobenzaldoxime

4-fluorobenzonitrile

4-(4-fluorophenyl)-2,7-dioxa-3-azabicyclo<3,3,0>oct-3-ene

4-fluorobenzoic acid ethyl ester

Refernces

• 1、 -. "Synthesis method of p-fluorobenzylamine". Paragraph 0006; 0013-0015; 0018-0020; 0023-0025. . Retrieved 2021/06/13.
• 2、 Abolhasani, Hoda,Zarghi, Afshin,Komeili Movahhed, Tahereh,Abolhasani, Ahmad,Daraei, Bahram,Dastmalchi, Siavoush. "Design, synthesis and biological evaluation of novel indanone containing spiroisoxazoline derivatives with selective COX-2 inhibition as anticancer agents". . . Retrieved 2021/01/25.