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

• ChemBase编号: 90271
• 分子式: C7H7AgO3S
• 平均质量: 279.06188
• 单一同位素质量: 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

名称和登记号

名称

• IUPAC标准名: silver(1+) ion 4-methylbenzene-1-sulfonate
• IUPAC传统名: silver(1+) tosylate; silver(1+) ion tosylate
• 别名: 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; SILVER-p-TOLUENE SULFONATE; Silver tosylate; Silver toluene-4-sulphonate; p-Toluenesulfonic acid silver salt; Silver p-toluenesulfonate

登记号

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

理论计算性质

• Acid pKa: -2.1372879
• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): -0.7088225
• LogD (pH = 7.4): -0.7088248
• Log P: 1.6675739
• 摩尔折射率: 40.6 cm^3
• 极化性: 16.615282 Å^3
• 极化表面积: 57.2 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 外观: powder

安全信息

• 保存注意事项: Irritant; Light Sensitive
• 欧盟危险性物质标志: 环境危害性(Nature polluting) (N); 刺激性(Irritant) (Xi)
• 联合国危险货物编号: UN3077
• 德国WGK号: 3
• 联合国危险货物等级: 9
• 联合国危险货物包装类别(PG): III
• 危险公开号: 36/37/38; 36/37/38-50; R:36/37/38-58
• 安全公开号: 26-36; 26-37-61; S:20-25-26-37/39-61
• TSCA收录: 是
• GHS危险品标识: GHS07; GHS09
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335; H400-H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338; P280G-P273-P305+P351+P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: ≥99%; 98+%
• 线性分子式: CH3C6H4SO3Ag

详细说明

MP Biomedicals - 05210435

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 176427

包装
10, 25 g in glass bottle
Application
可将卤代烷转化为甲苯磺酸酯，将苄基二氯氧化硒转化为对应的氧硒基甲苯磺酸酯。1

参考文献

• 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).