Thiocyanic acid, 4-((diethoxyphosphinothioyl)oxy)-3-methylphenyl ester

Base Information

• Chemical Name: Thiocyanic acid, 4-((diethoxyphosphinothioyl)oxy)-3-methylphenyl ester
• CAS No.: 84197-37-5
• Molecular Formula: C12H16 N O3 P S2
• Molecular Weight: 317.364101
• DSSTox Substance ID: DTXSID90233123
• Wikidata: Q83114478
• Mol file: 84197-37-5.mol

Synonyms:BRN 5582927;84197-37-5;Thiocyanic acid, 4-((diethoxyphosphinothioyl)oxy)-3-methylphenyl ester;4-((Diethoxyphosphinothioyl)oxy)-3-methylphenylthiocyanate;C12H16NO3PS2;DTXSID90233123;C12-H16-N-O3-P-S2;LS-152664

Chemical Property of Thiocyanic acid, 4-((diethoxyphosphinothioyl)oxy)-3-methylphenyl ester

Chemical Property:

• Vapor Pressure: 2.77E-06mmHg at 25°C
• Boiling Point: 389.8°C at 760 mmHg
• Flash Point: 189.6°C
• PSA: 118.68000
• Density: 1.27g/cm³
• LogP: 4.89508
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 317.03092272
• Heavy Atom Count: 19
• Complexity: 361

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOP(=S)(OCC)OC1=C(C=C(C=C1)SC#N)C