Phenyl 2,4-diisocyanato-5-methylbenzenesulphonate

Base Information

• Chemical Name: Phenyl 2,4-diisocyanato-5-methylbenzenesulphonate
• CAS No.: 93805-47-1
• Molecular Formula: C15H10 N2 O5 S
• Molecular Weight: 330.3153
• European Community (EC) Number: 298-530-2
• DSSTox Substance ID: DTXSID50239707
• Nikkaji Number: J280.662B
• Mol file: 93805-47-1.mol

Synonyms:Phenyl 2,4-diisocyanato-5-methylbenzenesulphonate;93805-47-1;EINECS 298-530-2;phenyl 2,4-diisocyanato-5-methylbenzenesulfonate;C15H10N2O5S;DTXSID50239707;C15-H10-N2-O5-S;2,4-Diisocyanato-5-methylbenzenesulfonic acid phenyl ester

Chemical Property of Phenyl 2,4-diisocyanato-5-methylbenzenesulphonate

Chemical Property:

• Vapor Pressure: 2.26E-10mmHg at 25°C
• Boiling Point: 506.3°Cat760mmHg
• Flash Point: 260°C
• PSA: 110.61000
• Density: 1.33g/cm³
• LogP: 3.77810
• XLogP3: 5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 330.03104260
• Heavy Atom Count: 23
• Complexity: 596

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1N=C=O)N=C=O)S(=O)(=O)OC2=CC=CC=C2