(2-Chlorophenyl)azanium;chloride

Base Information

• Chemical Name: (2-Chlorophenyl)azanium;chloride
• CAS No.: 137-04-2
• Molecular Formula: C6H7Cl2N
• Molecular Weight: 164.034
• Hs Code.: 2921420090
• Mol file: 137-04-2.mol

Synonyms:(2-chlorophenyl)azanium;chloride

Chemical Property of (2-Chlorophenyl)azanium;chloride

Chemical Property:

• Vapor Pressure: 0.209mmHg at 25°C
• Melting Point: 220 °C (subl.)
• Refractive Index: 1.6000 (estimate)
• Boiling Point: 208.8 °C at 760 mmHg
• Flash Point: 97.8 °C
• PSA: 26.02000
• Density: 1.5050
• LogP: 3.30540
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: Methanol; Water
• Water Solubility.: It is soluble in water.
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 162.9955546
• Heavy Atom Count: 9
• Complexity: 74.9

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Chloroaniline Hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 23/24/25-33-50/53
• Safety Statements: 28-36/37-45-60-61

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)[NH3+])Cl.[Cl-]
• Uses: 2-Chloroaniline hydrochloride, is used as ice dye basement, used for towels, colored yarn and cloth of cotton, viscose fabric dyeing and printing of chromogenic agent. It is also used as an intermediate in organic synthesis.

Technology Process of (2-Chlorophenyl)azanium;chloride

There total 5 articles about (2-Chlorophenyl)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: 78.0%

N-(2-chlorophenyl)acetamide (533-17-5) + ethylmagnesium bromide (925-90-6) → 2-chloroaniline hydrochloride (137-04-2)

Guidance literature:

N-(2-chlorophenyl)acetamide; With 2-fluoropyridine; trifluoromethylsulfonic anhydride; In dichloromethane; at 0 ℃; for 0.5h;

ethylmagnesium bromide; With cerium(III) chloride; In tetrahydrofuran; dichloromethane; at -78 ℃; for 2h;

With hydrogenchloride; In ethyl acetate;

DOI:10.1016/j.cclet.2015.05.033

Reference yield: 75.0%

2-Chloronitrobenzene (88-73-3) → 2-chloroaniline hydrochloride (137-04-2)

Guidance literature:

2-Chloronitrobenzene; With hydrogen; C₁₉H₁₂N₄^(2-)*C₂H₆OS*Co⁽²⁺⁾; In ethanol; at 120 ℃; for 15h; under 30003 Torr; Autoclave;

With hydrogenchloride; In water;

DOI:10.1002/ejoc.202100073

Reference yield:

o-chloroaniline (95-51-2) → 2-chloroaniline hydrochloride (137-04-2)

Guidance literature:

With hydrogenchloride; In water;

DOI:10.1007/s00706-008-0913-5

upstream raw materials:

2-Chloronitrobenzene

o-chloroaniline

2-chloro-N-phenylformamide

N-(2-chlorophenyl)acetamide

Downstream raw materials:

(2-chloro-phenylhydrazono)-malonic acid diethyl ester

N-(2-Chlorophenyl)-1,2-ethanediamine

3-Formyl-2-oxo-1,2-dihydroquinoxaline o-Chlorophenylhydrazone

3-[(2-Chloro-phenylamino)-methyl]-5-pyridin-4-yl-3H-[1,3,4]oxadiazole-2-thione; hydrochloride

Refernces

• 1、 Sch?fberger, Wolfgang,Timelthaler, Daniel,Topf, Christoph. "Selective and Additive-Free Hydrogenation of Nitroarenes Mediated by a DMSO-Tagged Molecular Cobalt Corrole Catalyst". supporting information. p. 2114 - 2120. Retrieved 2021/07/22.
• 2、 Desai, Salil Dileep,Kirsch, Lee E.. "The ortho effect on the acidic and alkaline hydrolysis of substituted formanilides". . p. 471 - 488. Retrieved 2015/06/30.