4-Chlorophenylbiguanide

Base Information

• Chemical Name: 4-Chlorophenylbiguanide
• CAS No.: 5304-59-6
• Molecular Formula: C8H10 Cl N5
• Molecular Weight: 211.654
• European Community (EC) Number: 226-155-6
• NSC Number: 220325
• UNII: 61UQ98597T
• DSSTox Substance ID: DTXSID10201086
• Nikkaji Number: J297.991H
• Wikidata: Q27263381
• ChEMBL ID: CHEMBL840
• Mol file: 5304-59-6.mol

Synonyms:4-chlorophenylbiguanide;p-chlorophenylbiguanide

Chemical Property of 4-Chlorophenylbiguanide

Chemical Property:

• Melting Point: 144 °C
• Boiling Point: 426.4°Cat760mmHg
• PKA: 11.39±0.10(Predicted)
• Flash Point: 211.7°C
• PSA: 97.78000
• Density: 1.49g/cm³
• LogP: 2.53340
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 211.0624730
• Heavy Atom Count: 14
• Complexity: 238

Purity/Quality:

99.5% ^*data from raw suppliers

1-(4-CHLOROPHENYL)BIGUANIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1N=C(N)N=C(N)N)Cl
• Uses: Labelled 1-(4-Chlorophenyl)biguanide (C378540). 1-(4-Chlorophenyl)biguanide is a guanide derivative that can inhibit significantly dihydrofolate reductase (DHFR).

Technology Process of 4-Chlorophenylbiguanide

There total 5 articles about 4-Chlorophenylbiguanide 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: 80.0%

4-chloro-aniline (106-47-8) + N-Cyanoguanidine (127099-85-8,780722-26-1,461-58-5) → 4-chlorophenylbiguanide (5304-59-6)

Guidance literature:

4-chloro-aniline; N-Cyanoguanidine; In toluene; at 20 ℃; for 0.25h;

With hydrogenchloride; In water; toluene; for 10h;

DOI:10.1155/2017/1212609

Reference yield:

p-chloroaniline hydrochloride (20265-96-7) + N-Cyanoguanidine (127099-85-8,780722-26-1,461-58-5) → 4-chlorophenylbiguanide (5304-59-6)

Guidance literature:

With water;

DOI:10.1039/jr9460000362 DOI:10.1039/jr9460001063

Reference yield:

1-phenylbiguanide (102-02-3) → 4-chlorophenylbiguanide (5304-59-6)

Guidance literature:

With chlorine;

upstream raw materials:

p-chloroaniline hydrochloride

N-Cyanoguanidine

1-phenylbiguanide

4-chloro-aniline

Downstream raw materials:

1-(6-bromo-quinazolin-4-yl)-5-(4-chloro-phenyl)-biguanide

N-(4-chloro-phenyl)-N'-(4-oxo-2,6-diphenyl-4H-pyridine-1-carboximidoyl)-guanidine

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

N-(4-chloro-phenyl)-N'-(4,5-dimethyl-6-oxo-1,6-dihydro-pyrimidin-2-yl)-guanidine

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