5-Chloro-2-methyl-3-(3-sulphonatopropyl)benzoxazolium

Base Information

• Chemical Name: 5-Chloro-2-methyl-3-(3-sulphonatopropyl)benzoxazolium
• CAS No.: 51981-33-0
• Molecular Formula: C11H12ClNO4S
• Molecular Weight: 289.7353
• European Community (EC) Number: 257-574-2
• UNII: D2V69QDG5D
• DSSTox Substance ID: DTXSID6068696
• Wikidata: Q72455275
• Mol file: 51981-33-0.mol

Synonyms:5-Chloro-2-methyl-3-(3-sulphonatopropyl)benzoxazolium;Benzoxazolium, 5-chloro-2-methyl-3-(3-sulfopropyl)-, inner salt;D2V69QDG5D;3-(5-chloro-2-methyl-1,3-benzoxazol-3-ium-3-yl)propane-1-sulfonate;5-Chloro-2-methyl-1-sulfopropylbenzoxazole;BAS 00107574;UNII-D2V69QDG5D;DTXSID6068696;EINECS 257-574-2;AKOS000546861;J-517322;Benzoxazolium, 5-chloro-2-methyl-3-(3-sulfopropyl)-, hydroxide, inner salt

Chemical Property of 5-Chloro-2-methyl-3-(3-sulphonatopropyl)benzoxazolium

Chemical Property:

• Appearance/Colour: Light yellow powder
• PSA: 82.60000
• LogP: 2.69820
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 289.0175567
• Heavy Atom Count: 18
• Complexity: 370

Purity/Quality:

98%,99%, ^*data from raw suppliers

5-CHLORO-2-METHYL-1-SULFOPROPYLBENZOXAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=[N+](C2=C(O1)C=CC(=C2)Cl)CCCS(=O)(=O)[O-]