4-Chlorobenzamidinium chloride

Base Information

• Chemical Name: 4-Chlorobenzamidinium chloride
• CAS No.: 14401-51-5
• Molecular Formula: C7H7 Cl N2 . Cl H
• Molecular Weight: 191.06
• Hs Code.: 29252900
• Mol file: 14401-51-5.mol

Synonyms:4-chlorobenzamidinium chloride;SCHEMBL8999617;AKOS024362787

Chemical Property of 4-Chlorobenzamidinium chloride

Chemical Property:

• Vapor Pressure: 0.0366mmHg at 25°C
• Melting Point: 244 °C
• Refractive Index: 1.597
• Boiling Point: 241.1°Cat760mmHg
• Flash Point: 99.6°C
• PSA: 49.87000
• Density: g/cm³
• LogP: 3.22610
• Storage Temp.: Inert atmosphere,Room Temperature
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 190.0064537
• Heavy Atom Count: 11
• Complexity: 122

Purity/Quality:

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

4-Chlorobenzene-1-carboximidamidehydrochloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,T
• Statements: 36/37/38-43-36-25
• Safety Statements: 26-36-37/39-45-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=[NH2+])N)Cl.[Cl-]
• Uses: 4-Chlorobenzene-1-carboximidamide, HCl

Technology Process of 4-Chlorobenzamidinium chloride

There total 5 articles about 4-Chlorobenzamidinium 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: 93.0%

4-Cyanochlorobenzene (623-03-0) → 4-chlorobenzamidine hydrochloride (14401-51-5)

Guidance literature:

With lithium hexamethyldisilazane; In tetrahydrofuran; at 20 ℃; for 4h;

DOI:10.1002/ejoc.200600060

Reference yield: 76.0%

C13H24ClLiN2Si2 → 4-chlorobenzamidine hydrochloride (14401-51-5)

Guidance literature:

With hydrogenchloride;

DOI:10.1016/0022-328X(87)80017-7

Reference yield: 72.0%

4-chlorobenzamidoxime (5033-28-3) → 4-chlorobenzamidine hydrochloride (14401-51-5)

Guidance literature:

4-chlorobenzamidoxime; With acetic anhydride; acetic acid; at 20 ℃; for 0.5h;

With triethylsilane; palladium dichloride; at 70 - 75 ℃; for 2.5h;

With hydrogenchloride; In ethanol;

DOI:10.1080/00397911.2010.488307

upstream raw materials:

4-Cyanochlorobenzene

ethyl-4-chlorobenzimidate hydrochloride

4-chlorobenzamidoxime

Downstream raw materials:

(S)-α-tert-butoxycarbonylamino-β-(2-p-chlorophenyl-6-phenylpyrimidin-4-yl)propanoic acid α-tert-butyl ester

3,5-bis(4-chlorophenyl)-1H-1,2,4-triazole

3-(4-chlorophenyl)-5-methyl-4H-1,2,4-triazole

3-(4-chlorophenyl)-5-cyclopropyl-4H-1,2,4-triazole

Refernces

• 1、 Lu, Xiaodong,Xin, Xiaoyi,Wan, Boshun. "Silver-catalyzed [3+2+1] annulation of aryl amidines with benzyl isocyanide". supporting information. p. 361 - 364. Retrieved 2018/01/08.
• 2、 Golubev, Pavel R.,Pankova, Alena S.,Kuznetsov, Mikhail A.. "Transition-metal-free approach to 4-ethynylpyrimidines via alkenynones". . p. 3614 - 3621. Retrieved 2014/06/23.