3-Chlorobenzamidine hydrochloride

Base Information

• Chemical Name: 3-Chlorobenzamidine hydrochloride
• CAS No.: 24095-60-1
• Molecular Formula: C7H7 Cl N2 . Cl H
• Molecular Weight: 191.06
• Hs Code.: 2925290090
• European Community (EC) Number: 692-204-7
• DSSTox Substance ID: DTXSID20524132
• Mol file: 24095-60-1.mol

Synonyms:24095-60-1;3-Chlorobenzamidine hydrochloride;3-Chloro-benzamidine hydrochloride;3-Chlorobenzamidine HCl;3-chlorobenzimidamide hydrochloride;3-chlorobenzenecarboximidamide hydrochloride;3-chlorobenzenecarboximidamide;hydrochloride;3-chlorobenzene-1-carboximidamide hydrochloride;MFCD00276754;3-CHLOR-BENZAMIDINE HYDROCHLORIDE;3-Chlorobenzamidinehydrochloride;Benzenecarboximidamide, 3-chloro-, monohydrochloride;SCHEMBL1436037;m-chlorobenzamidine hydrochloride;DTXSID20524132;KWDHABCUIIRLJP-UHFFFAOYSA-N;BCP17079;AKOS005257773;CS-W020729;SB36122;AC-23334;CS-10318;SY106891;3-chlor-benzamidine hydrochloride, AldrichCPR;EN300-73264;A15423;A25712;F11734;Benzenecarboximidamide,3-chloro-,hydrochloride(1:1);W-206875;F8889-9265;Z1362754541;3-Chlorobenzene-1-carboximidamide--hydrogen chloride (1/1);3-Chloro-benzamidine HCL;3-Chlorobenzene-1-carboximidamide hydrochloride

Chemical Property of 3-Chlorobenzamidine hydrochloride

Chemical Property:

• Vapor Pressure: 0.00165mmHg at 25°C
• Boiling Point: 254.7 ºC at 760 mmHg
• Flash Point: 107.8 ºC
• PSA: 49.87000
• Density: 1.29 g/cm³
• LogP: 3.22610
• Storage Temp.: Sealed in dry,Room Temperature
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 190.0064537
• Heavy Atom Count: 11
• Complexity: 136

Purity/Quality:

99% ^*data from raw suppliers

3-ChlorobenzamidineHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)Cl)C(=N)N.Cl

Technology Process of 3-Chlorobenzamidine hydrochloride

There total 3 articles about 3-Chlorobenzamidine hydrochloride 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: 69.0%

ethyl 3-chlorobenzimidate hydrochloride (60612-87-5) → 3-chlorobenzenecarboximidamide hydrochloride (24095-60-1)

Guidance literature:

With ammonia; In methanol; ethanol; at 20 ℃; for 24h; Sealed tube;

DOI:10.1016/j.tet.2014.01.019

Reference yield:

3-Chloro-benzimidic acid methyl ester; hydrochloride (56108-07-7) → 3-chlorobenzenecarboximidamide hydrochloride (24095-60-1)

Guidance literature:

With ammonia; In ethanol; at 0 ℃; for 96h;

DOI:10.1021/jm00166a023

Reference yield:

3-chloro-benzonitrile (766-84-7) → 3-chlorobenzenecarboximidamide hydrochloride (24095-60-1)

Guidance literature:

Multi-step reaction with 2 steps

1: HCl (gas) / diethyl ether / 3 - 4 °C

2: NH₃ (gas) / ethanol / 96 h / 0 °C

With hydrogenchloride; ammonia; In diethyl ether; ethanol;

DOI:10.1021/jm00166a023

upstream raw materials:

3-Chloro-benzimidic acid methyl ester; hydrochloride

3-chloro-benzonitrile

ethyl 3-chlorobenzimidate hydrochloride

Downstream raw materials:

3-chloro-3-(3-chlorophenyl)-3H-diazirine

4,6-dichloro-2-(3-chlorophenyl)-pyrimidine

Refernces

• 1、 -. "HETEROARYL INHIBITORS OF PDE4". . . Retrieved 2014/05/24.