2-Chloro-6-fluorobenzaldehyde oxime

Base Information

• Chemical Name: 2-Chloro-6-fluorobenzaldehyde oxime
• CAS No.: 443-33-4
• Molecular Formula: C7H5ClFNO
• Molecular Weight: 173.574
• Hs Code.: 29280000
• European Community (EC) Number: 207-135-6
• Mol file: 443-33-4.mol

Synonyms:2-Chloro-6-fluorobenzaldehyde oxime;2-Chloro-6-fluorobenzaldoxime;443-33-4;(E)-N-[(2-chloro-6-fluorophenyl)methylidene]hydroxylamine;EINECS 207-135-6;C7H5ClFNO;1391943-03-5;(E)-2-chloro-6-fluorobenzaldehyde oxime;C7-H5-Cl-F-N-O;HMS566F10;2-Chloro-6-fluorobenzaldehydeoxime;MFCD00837704;STK081100;AKOS003243602;MS-8955;(E)-2-chloro-6-fluorobenzaldehydeoxime;NCGC00340313-01;AB01332914-02;A826547;(E)-1-(2-chloro-6-fluorophenyl)-N-hydroxymethanimine;F2163-0265

Chemical Property of 2-Chloro-6-fluorobenzaldehyde oxime

Chemical Property:

• Vapor Pressure: 0.0237mmHg at 25°C
• Melting Point: 129-133 °C(lit.)
• Refractive Index: 1.533
• Boiling Point: 238 °C at 760 mmHg
• Flash Point: 97.8 °C
• PSA: 32.59000
• Density: 1.32 g/cm³
• LogP: 2.28720
• Solubility.: Dichloromethane, Ethyl Acetate
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 173.0043696
• Heavy Atom Count: 11
• Complexity: 153

Purity/Quality:

97%, ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xn,Xi
• Statements: 22-36-36/37/38
• Safety Statements: 26-26,37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)Cl)C=NO)F
• Isomeric SMILES: C1=CC(=C(C(=C1)Cl)/C=N/O)F
• Uses: 2-Chloro-6-fluorobenzaldoxime is used in the preparation of arenecarboxylic acids.

Technology Process of 2-Chloro-6-fluorobenzaldehyde oxime

There total 2 articles about 2-Chloro-6-fluorobenzaldehyde 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: 98.0%

2-chloro-6-fluorobenzaldehyde (387-45-1) → N-[(2-chloro-6-fluorophenyl)methylidene]hydroxylamine (443-33-4)

Guidance literature:

With hydroxylamine hydrochloride; silica gel; for 0.05h; microwave irradiation;

DOI:10.1039/a806359a

Reference yield:

2-chloro-6-fluorotoluene (443-83-4) → N-[(2-chloro-6-fluorophenyl)methylidene]hydroxylamine (443-33-4)

Guidance literature:

Multi-step reaction with 2 steps

1: bromine / 180 - 220 °C / Verruehren des Reaktionsprodukts mit konz. Schwefelsaeure bei 50-60grad

With bromine;

Reference yield: 100.0%

N-[(2-chloro-6-fluorophenyl)methylidene]hydroxylamine (443-33-4) → 2-chloro-6-fluorobenzoic acid (434-75-3)

Guidance literature:

With poly(diselanediyl-1,2-phenylene); dihydrogen peroxide; In tetrahydrofuran; for 72h; Heating;

DOI:10.1081/SCC-100105891

upstream raw materials:

2-chloro-6-fluorobenzaldehyde

2-chloro-6-fluorotoluene

Downstream raw materials:

2-chloro-6-fluoro-N-hydroxybenzene-1-carbonimidoyl chloride

2-Chlor-6-fluor-benzonitriloxid

C₇H₄ClFNO

C₇H₄ClFNO

Refernces

• 1、 Guo, You-Yuan,Jiang, Wei,Yang, Hong-Li,Fu, Ying. "Synthesis, Crystal Structure, and Herbicidal Activity of 3-(2-Chloro-6-fuorophenyl)-4-(2-oxooxazolidine-3-carbonyl)-5-methylisoxazole". . p. 503 - 508. Retrieved 2021/02/02.
• 2、 -. "HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS". Page/Page column 250. . Retrieved 2018/03/25.