1-(3,4-Dichlorophenyl)biguanide hydrochloride

Base Information

• Chemical Name: 1-(3,4-Dichlorophenyl)biguanide hydrochloride
• CAS No.: 21703-08-2
• Molecular Formula: C8H9 Cl2 N5 . Cl H
• Molecular Weight: 282.56
• Hs Code.: 2925290090
• European Community (EC) Number: 622-420-9
• NSC Number: 526876
• DSSTox Substance ID: DTXSID50369639
• Mol file: 21703-08-2.mol

Synonyms:21703-08-2;1-(3,4-Dichlorophenyl)biguanide hydrochloride;1-(3,4-Dichlorophenyl)biguanide, HCl;1-(diaminomethylidene)-2-(3,4-dichlorophenyl)guanidine;hydrochloride;1-carbamimidamido-N-(3,4-dichlorophenyl)methanimidamide hydrochloride;1-(diaminomethylidene)-2-(3,4-dichlorophenyl)guanidine Hydrochloride;SCHEMBL9668292;DTXSID50369639;WAA70308;MFCD00173791;NSC526876;AKOS015913076;NSC-526876;PS-7217;1-(3,4-Dichlorophenyl)biguanidehydrochloride;CS-0212010;1-(3,4-DICHLOROPHENYL)BIGUANIDE, HYDROC;SR-01000391650;SR-01000391650-1;1-(3,4-Dichlorophenyl)biguanide hydrochloride, 97%;N-(diaminomethylidene)-N''-(3,4-dichlorophenyl)guanidine hydrochloride

Chemical Property of 1-(3,4-Dichlorophenyl)biguanide hydrochloride

Chemical Property:

• Vapor Pressure: 4.89E-09mmHg at 25°C
• Melting Point: 222-228 °C(lit.)
• Boiling Point: 470.9°C at 760 mmHg
• Flash Point: 238.6°C
• PSA: 97.78000
• LogP: 3.98880
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 281.000178
• Heavy Atom Count: 16
• Complexity: 274

Purity/Quality:

99% ^*data from raw suppliers

1-(3,4-Dichlorophenyl)biguanide hydrochloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C=C1N=C(N)N=C(N)N)Cl)Cl.Cl

Technology Process of 1-(3,4-Dichlorophenyl)biguanide hydrochloride

There total 2 articles about 1-(3,4-Dichlorophenyl)biguanide 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:

dicyandiamide (127099-85-8,780722-26-1) + m,p-dichloroaniline (95-76-1) → 3,4-Dichlorophenylbiguanide hydrochloride (21703-08-2)

Guidance literature:

With hydrogenchloride; In water; at 170 ℃; for 0.166667h;

DOI:10.1021/acsinfecdis.8b00358

Reference yield:

→ 3,4-Dichlorophenylbiguanide hydrochloride (21703-08-2)

Guidance literature:

With hydrogenchloride; In butan-1-ol; for 2h; Reflux;

Reference yield: 92.0%

3,4-Dichlorophenylbiguanide hydrochloride (21703-08-2) + hexyl-methyl-ketone (111-13-7) → 4,6-diamino-1-(3',4'-dichlorophenyl)-2-hexyl-1,2-dihydro-2-methyl-1,3,5-triazine hydrochloride

Guidance literature:

With hydrogenchloride; Triethyl orthoacetate; In methanol; at 20 ℃;

DOI:10.1016/S0968-0896(02)00344-9

upstream raw materials:

dicyandiamide

m,p-dichloroaniline

Downstream raw materials:

1-(3,4-dichloro-phenyl)-6,6-dimethyl-1,6-dihydro-[1,3,5]triazine-2,4-diamine

N-(3,4-Dichloro-phenyl)-N'-(4-hydroxy-6-trifluoromethyl-pyrimidin-2-yl)-guanidine

N-(3,4-Dichloro-phenyl)-N'-[4-(3-diethylaminomethyl-phenylamino)-6-trifluoromethyl-pyrimidin-2-yl]-guanidine

N-(3,4-Dichloro-phenyl)-N'-[4-(3-dimethylaminomethyl-4-hydroxy-phenylamino)-6-trifluoromethyl-pyrimidin-2-yl]-guanidine

Refernces

• 1、 Landi, Giacomo,Linciano, Pasquale,Borsari, Chiara,Bertolacini, Claudia P.,Moraes, Carolina B.,Cordeiro-Da-Silva, Anabela,Gul, Sheraz,Witt, Gesa,Kuzikov, Maria,Costi, Maria Paola,Pozzi, Cecilia,Mangani, Stefano. "Structural Insights into the Development of Cycloguanil Derivatives as Trypanosoma brucei Pteridine-Reductase-1 Inhibitors". . p. 1105 - 1114. Retrieved 2019/05/22.