3-Fluorobenzaldoxime

Base Information

• Chemical Name: 3-Fluorobenzaldoxime
• CAS No.: 458-02-6
• Molecular Formula: C7H6 F N O
• Molecular Weight: 139.129
• Hs Code.: 2928000090
• European Community (EC) Number: 632-570-7
• Mol file: 458-02-6.mol

Synonyms:3-Fluorobenzaldoxime;154238-36-5;458-02-6;3-Fluorobenzaldehyde oxime;Benzaldehyde, 3-fluoro-, oxime, (E)- (9CI);(NE)-N-[(3-fluorophenyl)methylidene]hydroxylamine;(E)-3-fluorobenzaldehyde oxime;(E)-N-[(3-FLUOROPHENYL)METHYLIDENE]HYDROXYLAMINE;SCHEMBL1776939;SCHEMBL2490537;(Z)-3-Fluoro-benzaldehyde oxime;ZFFMHBULJWGCKI-UITAMQMPSA-N;MFCD00019959;AKOS001078433;AS-33378;(E)-1-(3-Fluorophenyl)-N-hydroxymethanimine;Z49568532;F2163-0256

Chemical Property of 3-Fluorobenzaldoxime

Chemical Property:

• PSA: 32.59000
• LogP: 1.63380
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 139.043341977
• Heavy Atom Count: 10
• Complexity: 127

Purity/Quality:

98%Min ^*data from raw suppliers

3-FluorobenzaldehydeOxime ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 3-Fluorobenzaldoxime

There total 7 articles about 3-Fluorobenzaldoxime 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: 97.0%

3-Fluorobenzaldehyde (456-48-4) → 3-fluorobenzaldehyde oxime (458-02-6,154238-36-5)

Guidance literature:

With hydroxylamine hydrochloride; potassium carbonate; In methanol; at 20 ℃;

DOI:10.1021/jo401077q

Reference yield: 93.0%

3-Fluorobenzaldehyde (456-48-4) → 3-fluoro-benzaldehyde seqcis-oxime (458-02-6,154238-36-5)

Guidance literature:

With sodium hydroxide; hydroxylamine hydrochloride; In ethanol; water;

Reference yield: 93.0%

→ 3-fluorobenzaldehyde oxime (458-02-6,154238-36-5)

Guidance literature:

upstream raw materials:

3-fluoro-benzaldehyde seqtrans-oxime

3-Fluorobenzaldehyde

3-fluoro-benzenemethanol

(3-fluorophenyl)methanamine

Downstream raw materials:

3-fluoro-benzaldehyde seqcis-oxime

N-hydroxy-3-fluoro-benzenecarboximidoyl chloride

m-Fluorobenzonitrile

3-Fluorobenzaldehyde

Refernces

• 1、 -. "Isoxazoline-pyrazole amide compound as well as preparation method and application thereof". Paragraph 0108-0112. . Retrieved 2021/05/15.
• 2、 Granato, álisson Silva,de Carvalho, Gustavo S. Gon?alves,Fonseca, Carla G.,Adrio, Javier,Leit?o, Alexandre A.,Amarante, Giovanni Wilson. "On the mixed oxides-supported niobium catalyst towards benzylamine oxidation". . p. 118 - 125. Retrieved 2020/09/11.