4-methoxybenzene-1-sulfonyl chloride

• ChemBase编号: 86976
• 分子式: C7H7ClO3S
• 平均质量: 206.64668
• 单一同位素质量: 205.98044276
• SMILES: S(=O)(=O)(c1ccc(cc1)OC)Cl
• Canonical SMILES: COc1ccc(cc1)S(=O)(=O)Cl
• InChI: InChI=1S/C7H7ClO3S/c1-11-6-2-4-7(5-3-6)12(8,9)10/h2-5H,1H3
• InChIKey: DTJVECUKADWGMO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-methoxybenzene-1-sulfonyl chloride
• IUPAC传统名: 4-methoxybenzenesulfonyl chloride
• 别名: 4-甲氧基苯磺酰氯; 4-(Chlorosulphonyl)anisole; 4-Methoxybenzenesulphonyl chloride; 4-methoxybenzene-1-sulfonyl chloride; 4-Methoxybenzenesulfonyl chloride; p-Anisolesulfonyl chloride

登记号

• CAS号: 98-68-0
• EC号: 202-692-1
• MDL号: MFCD00007446
• Beilstein号: 609005
• PubChem SID: 24883568; 162074092; 24896472
• PubChem CID: 7401

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 1.7618775
• LogD (pH = 7.4): 1.7618775
• Log P: 1.7618775
• 摩尔折射率: 46.7154 cm^3
• 极化性: 18.958841 Å^3
• 极化表面积: 43.37 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 37-42°C; 39-42 °C; 39-42 °C(lit.); 39-43°C; 41 - 43°C
• 沸点: 119-122°C/0.4mm; 119-122°C/0.4mm; 173 °C/14 mmHg(lit.)
• 闪点: >110°C; >110°C(230°F); 112 °C; 233.6 °F
• 疏水性(logP): 0.089

安全信息

• 保存注意事项: Corrosive/Light Sensitive/Moisture Sensitive/Keep Cold/Store under Argon; Moisture Sensitive
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C)
• 联合国危险货物编号: 3261; UN3261
• 德国WGK号: 3
• 联合国危险货物等级: 8
• 联合国危险货物包装类别(PG): 2; II
• 危险公开号: 34
• 安全公开号: 26-36/37/39-45
• TSCA收录: 否
• GHS危险品标识: GHS05
• GHS警示词: Danger
• GHS危险声明: H314; H314-H318
• GHS警示性声明: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P280-P305 + P351 + P338-P310
• 个人保护装置: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3261 8/PG 2
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥98.0% (T); 95%; 97%; 98%; 98+%; 99%
• 级别: purum
• 线性分子式: CH3OC6H4SO2Cl

详细说明

Sigma Aldrich - M10204

包装
5, 25 g in glass bottle

Sigma Aldrich - 64809

Other Notes
各种氮官能的保护基团试剂1,2,3

参考文献

• Amines and other N-functions can be protected as 4-methoxybenzenesufonyl (PMBS, Mps) derivatives: Chem. Pharm. Bull., 29, 2592 (1981), useful for the imidazole in histidines, stable to TFA and HBr/AcOH: Bull. Chem. Soc. Jpn., 47, 3146 (1974); J. Org. Chem., 45, 547 (1980); deprotection in TFA is promoted by dimethyl sulfide: J. Chem. Soc., Chem. Commun., 955 (1979). For deprotection of PMBS-indoles using Mg in methanol, see: J. Org. Chem., 62, 6519 (1997).
• Also used for protection of the guanidino function of arginine residues in peptide synthesis. The sulfonamide is cleaved by triflic acid under less drastic conditions than tosyl groups: Chem. Pharm. Bull., 24, 1568 (1976). Compare also 4-Methoxy-2,3,6-trimethylbenzenesulfonyl chloride, L11829. See Appendix 6.