silver(1+) ion 4-methylbenzene-1-sulfonate

• ChemBase ID: 90271
• Molecular Formular: C7H7AgO3S
• Molecular Mass: 279.06188
• Monoisotopic Mass: 277.91668708
• SMILES: S(=O)(=O)(c1ccc(cc1)C)[O-].[Ag+]
• Canonical SMILES: Cc1ccc(cc1)S(=O)(=O)[O-].[Ag+]
• InChI: InChI=1S/C7H8O3S.Ag/c1-6-2-4-7(5-3-6)11(8,9)10;/h2-5H,1H3,(H,8,9,10);/q;+1/p-1
• InChIKey: JUDUFOKGIZUSFP-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: silver(1+) ion 4-methylbenzene-1-sulfonate
• IUPAC Traditional name: silver(1+) tosylate; silver(1+) ion tosylate
• Synonyms: SILVER-p-TOLUENE SULFONATE; Silver tosylate; Silver toluene-4-sulphonate; p-Toluenesulfonic acid silver salt; Silver p-toluenesulfonate; 对甲苯磺酸银(I); 对甲苯磺酸 银盐; 甲苯磺酸银; 对甲苯磺酸银

Database IDs

• CAS Number: 16836-95-6
• EC Number: 240-859-0
• MDL Number: MFCD00007511
• Beilstein Number: 3598937
• PubChem SID: 162077103; 24850577
• PubChem CID: 85606

CALCULATED PROPERTIES

• Acid pKa: -2.1372879
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.7088225
• LogD (pH = 7.4): -0.7088248
• Log P: 1.6675739
• Molar Refractivity: 40.6 cm^3
• Polarizability: 16.615282 Å^3
• Polar Surface Area: 57.2 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: powder

Safety Information

• Storage Warning: Irritant; Light Sensitive
• European Hazard Symbols: Nature polluting (N); Irritant (Xi)
• UN Number: UN3077
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: III
• Risk Statements: 36/37/38; 36/37/38-50; R:36/37/38-58
• Safety Statements: 26-36; 26-37-61; S:20-25-26-37/39-61
• TSCA Listed: 是
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335; H400-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P280G-P273-P305+P351+P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥99%; 98+%
• Linear Formula: CH3C6H4SO3Ag

DETAILS

MP Biomedicals - 05210435

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 176427

Packaging
10, 25 g in glass bottle
Application
Converts alkyl halides to tosylates, and benzyl selenyl chlorides into their corresponding selenyl tosylates.1

REFERENCES

• Silver salt soluble in many organic solvents; useful, e.g. in promotion of the leaving ability of halogens. For use in the conversion of alkyl halides to alkyl tosylates, see: J. Am. Chem. Soc., 81, 4113 (1959); J. Chem. Soc., 6748 (1965).
• Induces carbocation rearrangements in alkyl halides, e.g. promotes the stereospecific disrotatory ring-opening of the cyclopropyl cation resulting from ionization of gem-dibromocyclopropanes: J. Org. Chem., 41, 384 (1976).
• For conversion of benzylic bromides to styrenes, see: Bul. Chem. Soc. Jpn., 66, 589 (1993).