1-Benzylpyridinium 3-sulfonate

Base Information

• Chemical Name: 1-Benzylpyridinium 3-sulfonate
• CAS No.: 69723-94-0
• Molecular Formula: C12H11NO3S
• Molecular Weight: 249.2856
• European Community (EC) Number: 274-098-0
• UNII: IV4349796J
• DSSTox Substance ID: DTXSID3022299
• Wikidata: Q27280914
• Mol file: 69723-94-0.mol

Synonyms:1-benzylpyridinium 3-sulfonate;69723-94-0;1-(Benzyl)-3-sulphonatopyridinium;1-benzylpyridin-1-ium-3-sulfonate;EINECS 274-098-0;UNII-IV4349796J;IV4349796J;1-(phenylmethyl)pyridinium-3-sulfonate;1-benzylpyridinium-3-sulfonate;DTXSID3022299;SCHEMBL10781117;LS-184981;Pyridinium, 1-(phenylmethyl)-3-sulfo-,?inner salt;Q27280914;PYRIDINIUM, 1-(PHENYLMETHYL)-3-SULFO-, INNER SALT;PYRIDINIUM, 1-(PHENYLMETHYL)-3-SULFO-, HYDROXIDE, INNER SALT

Chemical Property of 1-Benzylpyridinium 3-sulfonate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 69.46000
• Density: g/cm³
• LogP: 2.00730
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 249.04596439
• Heavy Atom Count: 17
• Complexity: 317

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C[N+]2=CC=CC(=C2)S(=O)(=O)[O-]

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