(4-Fluoroanilino)azanium;chloride

Base Information

• Chemical Name: (4-Fluoroanilino)azanium;chloride
• CAS No.: 823-85-8
• Molecular Formula: C6H8ClFN2
• Molecular Weight: 162.594
• Hs Code.: 29280090
• Mol file: 823-85-8.mol

Synonyms:

Chemical Property of (4-Fluoroanilino)azanium;chloride

Chemical Property:

• Appearance/Colour: light red powder
• Melting Point: 250 °C(lit.)
• Boiling Point: 226.7 °C at 760 mmHg
• Flash Point: 90.9 °C
• PSA: 38.05000
• LogP: 2.68660
• Storage Temp.: 2-8°C
• Water Solubility.: soluble
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 162.0360041
• Heavy Atom Count: 10
• Complexity: 79.1

Purity/Quality:

99% ^*data from raw suppliers

4-Fluorophenylhydrazine HCl ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi, Xn
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-43-40-20/21/22
• Safety Statements: 26-36-36/37/39-22

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC=C1N[NH3+])F.[Cl-]
• Uses: 4-Fluorophenylhydrazine hydrochloride is used as a chemical intermediate in the pharmaceutica1ls particularly of tryptamine drugs used in the treatment of migraine and cluster headaches. It is used to prepare agrochemical, and other chemical. It is used to detect sugars and aldehydes in analytical chemistry.

Technology Process of (4-Fluoroanilino)azanium;chloride

There total 8 articles about (4-Fluoroanilino)azanium;chloride 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: 88.0%

3-(4-fluorophenyl)-3H-1,2,3-oxadiazol-1-ium-5-olate (5352-95-4) → 4-fluorophenyhydrazine hydrochloride (823-85-8)

Guidance literature:

With hydrogenchloride; In ethyl acetate; at 60 ℃; for 0.25h;

DOI:10.1002/jccs.200000027

Reference yield: 78.0%

1-Bromo-4-fluorobenzene (460-00-4) → 4-fluorophenyhydrazine hydrochloride (823-85-8)

Guidance literature:

1-Bromo-4-fluorobenzene; With potassium phosphate; copper(l) iodide; N,N′-bis(2,6-dimethylphenyl)oxalamide; cetyltrimethylammonim bromide; In water; at 80 ℃; for 0.25h; Schlenk technique; Inert atmosphere; Sealed tube;

With hydrazine hydrate; In water; at 80 ℃; Inert atmosphere; Schlenk technique; Sealed tube;

With hydrogenchloride; In water; pH=3 - 4; Inert atmosphere; Schlenk technique; Sealed tube;

DOI:10.1002/cjoc.201800326

Reference yield: 55.0%

4-fluoroaniline (371-40-4) → 4-fluorophenyhydrazine hydrochloride (823-85-8)

Guidance literature:

4-fluoroaniline; With hydrogenchloride; In water; at 20 ℃; for 2h;

With sodium nitrite; In water; at 5 ℃; for 1h; Further stages;

DOI:10.1016/j.ejmech.2011.03.055

upstream raw materials:

4-fluorophenylhydrazine

4-fluoroaniline

3-(4-fluorophenyl)-3H-1,2,3-oxadiazol-1-ium-5-olate

1-Bromo-4-fluorobenzene

Downstream raw materials:

(3S,8R,9S,10R,13S,14S)-17-[(4-Fluoro-phenyl)-hydrazono]-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,10,11,12,13,14,15,17-tetradecahydro-cyclopenta[a]phenanthren-16-one oxime

1-(4-fluoro-phenyl)-1,4-dihydro-indeno[1,2-c]pyrazole

2-(4-fluorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one

5-fluoro-2,3,3-trimethyl-3H-indole

Refernces

• 1、 Lombardi, Lorenzo,Bellini, Daniele,Bottoni, Andrea,Calvaresi, Matteo,Monari, Magda,Kovtun, Alessandro,Palermo, Vincenzo,Melucci, Manuela,Bandini, Marco. "Allylic and Allenylic Dearomatization of Indoles Promoted by Graphene Oxide by Covalent Grafting Activation Mode". supporting information. p. 10427 - 10432. Retrieved 2020/07/24.
• 2、 Xiong, Runde,He, Dongxiu,Deng, Xiangping,Liu, Juan,Lei, Xiaoyong,Xie, Zhizhong,Cao, Xuan,Chen, Yanming,Peng, Junmei,Tang, Guotao. "Design, synthesis and biological evaluation of tryptamine salicylic acid derivatives as potential antitumor agents". . p. 573 - 583. Retrieved 2019/04/30.