sodium methyl sulfate

• ChemBase编号: 110731
• 分子式: CH3NaO4S
• 平均质量: 134.08689
• 单一同位素质量: 133.96497386
• SMILES: [Na+].COS(=O)(=O)[O-]
• Canonical SMILES: COS(=O)(=O)[O-].[Na+]
• InChI: InChI=1S/CH4O4S.Na/c1-5-6(2,3)4;/h1H3,(H,2,3,4);/q;+1/p-1
• InChIKey: DZXBHDRHRFLQCJ-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: sodium methyl sulfate
• IUPAC传统名: sodium methyl sulfate(1-); potassium monomethyl sulfate
• 别名: 甲基硫酸钠; 硫酸甲酯 钠盐; Monomethyl ester sulfuric acid sodium salt; Sodium methyl sulfate; Methyl sulfate sodium salt; SODIUM METHYLSULFATE

登记号

• CAS号: 512-42-5
• EC号: 208-142-7
• MDL号: MFCD00013457
• PubChem SID: 162096956; 24859116
• PubChem CID: 2735086

理论计算性质

• Acid pKa: -2.3668854
• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): -2.8399887
• LogD (pH = 7.4): -2.8399901
• Log P: -0.4635913
• 摩尔折射率: 17.1314 cm^3
• 极化性: 8.106632 Å^3
• 极化表面积: 66.43 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

• 熔点: 163°C; 210 °C(lit.)

安全信息

• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 20/22-37/38
• 安全公开号: 23-45
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H302-H315-H332-H335
• GHS警示性声明: P261
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 杂质: <3% methanol; <5% water
• 线性分子式: CH3OSO3Na

详细说明

Sigma Aldrich - 318183

包装
25, 100 g in glass bottle
Application
Reactant or reagent involved in:
• Studying lamellar structure formation in hybrid nanomaterials created by miniemulsion1
• EPR studies of radical ions radiolytically generated from ionic liquids, used as a reference2
• Synthesis of hydroxyanilino quinolines for use as RET kinase inhibitors3
• Micellular studies specifically the rate-retarding effects on hydrolysis of substituted 1-benzoyl-1,2,4-triazoles4 and self-assembly / microstructure of mixed micelles5