4751-99-9

Basic information

• Product Name: O-TOLYLBIGUANIDE HYDROCHLORIDE
• Synonyms: 1-o-tolylbiguanidemonohydrochloride;1-o-tolyl-biguanidmonohydrochloride;BUTTPARK 44\01-28;O-TOLYLBIGUANIDE HYDROCHLORIDE;o-tolylbiguanideHCl;1-ORTHO-TOLYLBIGUANIDE
• CAS NO: 4751-99-9
• Molecular Formula: C₉H₁₃N₅*ClH
• Molecular Weight: 227.69
• Mol File: 4751-99-9.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 411.3°Cat760mmHg
• Flash Point: 202.6°C
• Appearance: /
• Density: 1.29g/cm³
• Vapor Pressure: 5.63E-07mmHg at 25°C
• CAS DataBase Reference: O-TOLYLBIGUANIDE HYDROCHLORIDE(CAS DataBase Reference)
• NIST Chemistry Reference: O-TOLYLBIGUANIDE HYDROCHLORIDE(4751-99-9)
• EPA Substance Registry System: O-TOLYLBIGUANIDE HYDROCHLORIDE(4751-99-9)

Safety Data

• Hazardous Substances Data: 4751-99-9(Hazardous Substances Data)

Usage

General Description

O-TOLYLBIGUANIDE HYDROCHLORIDE is a chemical compound that is commonly used as a disinfectant and antiseptic agent. It is particularly effective against a wide range of microorganisms, including bacteria and fungi. O-TOLYLBIGUANIDE HYDROCHLORIDE is often used in personal care products, such as hand sanitizers and wound disinfectants, as well as in household cleaning products. It works by disrupting the cell membranes of microorganisms, leading to their death. O-TOLYLBIGUANIDE HYDROCHLORIDE is known for its broad spectrum of activity, fast-acting nature, and relative safety for human use, making it a popular choice for many disinfection and sterilization applications.

InChI:InChI=1/C9H13N5.ClH/c1-6-4-2-3-5-7(6)13-9(12)14-8(10)11;/h2-5H,1H3,(H6,10,11,12,13,14);1H

Upstream product

• 93-69-6 (o-tolyl)-biguanide 
• 127099-85-8 N-Cyanoguanidine 
• 95-53-4 o-toluidine 

Downstream Products

• 568570-13-8 6-(chloromethyl)-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine 
• 1269527-28-7 6-{[4-(4-bromobenzylideneamino)-5-phenyl-4H-1,2,4-triazol-3-ylthio]methyl}-N₂-o-tolyl-1,3,5-triazine-2,4-diamine 
• 1269527-26-5 6-{[4-(benzylideneamino)-5-phenyl-4H-1,2,4-triazol-3-ylthio]methyl}-N₂-o-tolyl-1,3,5-triazine-2,4-diamine 
• 1269527-24-3 6-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-ylthio]methyl}-N₂-o-tolyl-1,3,5-triazine-2,4-diamine 
• 1021991-13-8 6-[(5-methyl-1H-benzo[d]imidazol-2-ylthio)methyl]-N₂-o-tolyl-1,3,5-triazine-2,4-diamine 
• 1004190-55-9 6-[(1H-benzo[d]imidazol-2-ylthio)methyl]-N₂-o-tolyl-1,3,5-triazine-2,4-diamine 

Relevant articles and documents

Synthesis, structural elucidation, characterization and theoretical DFT study of 1-(o-tolyl)biguanidium chloride

The structure of the new salt 1-(o-tolyl)biguanidium chloride, C9H14N5 +·Cl-, has been determined by single-crystal X-ray diffraction. The salt crystallizes in the monoclinic space group C2/c. In this structure, the chloride and biguanidium hydrophilic ions are mostly connected to each other via N-H?N and N-H?Cl hydrogen bonds to form layers parallel to the ab plane around y = and y = . The 2-methylbenzyl groups form layers between these layers around y = 0 and y = , with the methyl group forming C-H?π interactions with the aromatic ring. Intermolecular interactions on the Hirshfeld surface were investigated in terms of contact enrichment and electrostatic energy, and confirm the role of strong hydrogen bonds along with hydrophobic interactions. A correlation between electrostatic energy and contact enrichment is found only for the strongly attractive (N-H?Cl-) and repulsive contacts. Electrostatic energies between ions reveal that the interacting biguanidium cation pairs are repulsive and that the crystal is maintained by attractive cation?Cl- dimers. The vibrational absorption bands were identified by IR spectroscopy.

Synthesis and antiviral activity of benzimidazolyl-and triazolyl-1,3,5- triazines

A novel series of 1,3,5-triazine analogs was successfully synthesized through conjugation with benzimidazole or 1,2,4-triazole derivatives via a methylenethio linker. The new analogs were in vitro evaluated against HSV-1 in Vero cells; among these analogs, two compounds exhibited good effect in inhibiting HSV-1 replication (for compound 5p: EC50 = 3.5 μg/ml, SI = 358; for compound 5r: EC50 = 5.0 μg/ml, SI = 300) in comparison to acyclovir. Springer Science+Business Media, LLC 2011.