(3-Chloro-2-fluoroanilino)azanium;chloride

Base Information

• Chemical Name: (3-Chloro-2-fluoroanilino)azanium;chloride
• CAS No.: 517920-75-1
• Molecular Formula: C6H6 Cl F N2 . Cl H
• Molecular Weight: 197.039
• Hs Code.: 2928000090
• Mol file: 517920-75-1.mol

Synonyms:

Chemical Property of (3-Chloro-2-fluoroanilino)azanium;chloride

Chemical Property:

• Vapor Pressure: 0.0509mmHg at 25°C
• Boiling Point: 235.1°C at 760 mmHg
• Flash Point: 96°C
• PSA: 38.05000
• LogP: 3.34000
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 195.9970318
• Heavy Atom Count: 11
• Complexity: 112

Purity/Quality:

97% ^*data from raw suppliers

3-Chloro-2-fluorophenylhydrazinehydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)Cl)F)N[NH3+].[Cl-]
• Uses: 3-Chloro-2-fluorophenylhydrazine, HCl

Technology Process of (3-Chloro-2-fluoroanilino)azanium;chloride

There total 1 articles about (3-Chloro-2-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:

3-chloro-2-fluoroaniline hydrochloride (650578-82-8) → (3-chloro-2-fluorophenyl)hydrazine hydrochloride (517920-75-1)

Guidance literature:

3-chloro-2-fluoroaniline hydrochloride; With hydrogenchloride; trifluoroacetic acid; sodium nitrite; In water; at 0 ℃; for 1h;

With hydrogenchloride; tin(ll) chloride; In water; at 0 - 20 ℃; for 15h;

Reference yield: 97.0%

(3-chloro-2-fluorophenyl)hydrazine hydrochloride (517920-75-1) + ethyl acetoacetate (141-97-9) + N,N-dimethyl-formamide dimethyl acetal (4637-24-5) → 1-(3-chloro-2-fluoro-phenyl)-5-methyl-1H-pyrazole-4-carboxylic acid ethyl ester (1422386-21-7)

Guidance literature:

ethyl acetoacetate; N,N-dimethyl-formamide dimethyl acetal; at 130 ℃; for 0.25h; Microwave irradiation;

(3-chloro-2-fluorophenyl)hydrazine hydrochloride; With triethylamine; In ethanol; at 80 ℃; for 3h;

Reference yield: 91.0%

(3-chloro-2-fluorophenyl)hydrazine hydrochloride (517920-75-1) + (E)-ethyl 2-((dimethylamino)methylene)-3-oxobutanoate (203186-58-7) → 1-(3-chloro-2-fluoro-phenyl)-5-methyl-1H-pyrazole-4-carboxylic acid ethyl ester (1422386-21-7)

Guidance literature:

With triethylamine; In ethanol; at 20 ℃; for 5h;

upstream raw materials:

3-chloro-2-fluoroaniline hydrochloride

Downstream raw materials:

4-(6-chloro-7-fluoro-1H-indol-2-yl)-benzoic acid methyl ester

1-(3-chloro-2-fluoro-phenyl)-5-methyl-1H-pyrazole-4-carboxylic acid ethyl ester

N'-(3-chloro-2-fluorophenyl)acetohydrazide

ethyl 5-amino-1-(3-chloro-2-fluorophenyl)-1H-pyrazole-4-carboxylate

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