(3,5-Difluoroanilino)azanium;chloride

Base Information

• Chemical Name: (3,5-Difluoroanilino)azanium;chloride
• CAS No.: 502496-27-7
• Molecular Formula: C₆H₆F₂N₂*ClH
• Molecular Weight: 180.585
• Hs Code.: 2928009090
• Mol file: 502496-27-7.mol

Synonyms:

Chemical Property of (3,5-Difluoroanilino)azanium;chloride

Chemical Property:

• Vapor Pressure: 0.37mmHg at 25°C
• Melting Point: 261-266 °C(lit.)
• Refractive Index: 1.579
• Boiling Point: 197.9 °C at 760 mmHg
• Flash Point: 73.5 °C
• PSA: 38.05000
• Density: 1.379g/cm³
• LogP: 2.82570
• Storage Temp.: Inert atmosphere,Room Temperature
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 180.0265822
• Heavy Atom Count: 11
• Complexity: 99.9

Purity/Quality:

99% ^*data from raw suppliers

3,5-Difluorophenylhydrazine hydrochloride ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

Useful:

• Canonical SMILES: C1=C(C=C(C=C1F)F)N[NH3+].[Cl-]

Technology Process of (3,5-Difluoroanilino)azanium;chloride

There total 1 articles about (3,5-Difluoroanilino)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: 86.0%

3,5-difluorobromobenzene (461-96-1) → (3,5-difluorophenyl)hydrazine hydrochloride (502496-27-7)

Guidance literature:

3,5-difluorobromobenzene; 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:

3,5-difluorophenylhydrazine hydrochloride (502496-27-7) → 6-(3-bromopropoxy)-2-(3,5-difluorophenyl)pyridazin-3(2H)-one

Guidance literature:

Multi-step reaction with 2 steps

1: hydrogenchloride / water / 9 h / Reflux

2: potassium carbonate / acetone / Reflux

With hydrogenchloride; potassium carbonate; In water; acetone;

DOI:10.1016/j.ejmech.2016.09.008

Reference yield:

3,5-difluorophenylhydrazine hydrochloride (502496-27-7) → 2‐(3,5‐difluorophenyl)‐6‐{3‐[4‐(6‐fluoro‐1,2‐benzoxazol‐3‐yl)piperidin‐1‐yl]propoxy}‐2,3‐dihydropyridazin‐3‐one

Guidance literature:

Multi-step reaction with 2 steps

1: hydrogenchloride / water / 9 h / Reflux

2: potassium carbonate; potassium iodide / acetonitrile / Reflux

With hydrogenchloride; potassium carbonate; potassium iodide; In water; acetonitrile;

DOI:10.1016/j.ejmech.2016.09.008

upstream raw materials:

3,5-difluorobromobenzene

Downstream raw materials:

C₂₆H₂₉F₂N₅O₄S

C₂₆H₂₉F₂N₅O₄S

C₂₆H₂₇F₂N₅O₆S

C₂₆H₂₇F₂N₅O₆S

Refernces