3-(Triphenylphosphonio)propane-1-sulfonic acid tosylate

Base Information

• Chemical Name: 3-(Triphenylphosphonio)propane-1-sulfonic acid tosylate
• CAS No.: 439937-65-2
• Molecular Formula: C21H22O3PS.C7H7O3S
• Molecular Weight: 556.63
• European Community (EC) Number: 623-760-0
• DSSTox Substance ID: DTXSID20460743
• Mol file: 439937-65-2.mol

Synonyms:439937-65-2;3-(Triphenylphosphonio)propane-1-sulfonic acid tosylate;4-methylbenzenesulfonate;triphenyl(3-sulfopropyl)phosphanium;3-(TRIPHENYLPHOSPHONIO)PROPANE-1-SULFONI;SCHEMBL2230521;DTXSID20460743;AKOS015902976;Triphenyl(3-sulfopropyl)phosphonium 4-methylbenzenesulfonate;3-(Triphenylphosphonio)propane-1-sulfonic acid tosylate, >=98.0%

Chemical Property of 3-(Triphenylphosphonio)propane-1-sulfonic acid tosylate

Chemical Property:

• PSA: 141.92000
• LogP: 6.31910
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 556.11431799
• Heavy Atom Count: 37
• Complexity: 657

Purity/Quality:

97% ^*data from raw suppliers

3-(TRIPHENYLPHOSPHONIO)PROPANE-1-SULFONIC ACID TOSYLATE 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)[P+](CCCS(=O)(=O)O)(C2=CC=CC=C2)C3=CC=CC=C3