4-nitrobenzene-1-sulfonyl chloride

• ChemBase编号: 67545
• 分子式: C6H4ClNO4S
• 平均质量: 221.61826
• 单一同位素质量: 220.95495629
• SMILES: c1(ccc(cc1)[N+](=O)[O-])S(=O)(=O)Cl
• Canonical SMILES: [O-][N+](=O)c1ccc(cc1)S(=O)(=O)Cl
• InChI: InChI=1S/C6H4ClNO4S/c7-13(11,12)6-3-1-5(2-4-6)8(9)10/h1-4H
• InChIKey: JXRGUPLJCCDGKG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-nitrobenzene-1-sulfonyl chloride
• IUPAC传统名: 4-nitrobenzenesulfonyl chloride
• 别名: 4-硝基苯基磺酰氯; 4-硝基苯磺酰氯; 4-Nitrobenzenesulfonylchloride; 4-Nitrobenzenesulfonyl chloride; 4-nitrobenzene-1-sulfonyl chloride; 4-(Chlorosulphonyl)nitrobenzene; 4-Nitrobenzenesulphonyl chloride

登记号

• CAS号: 98-74-8
• EC号: 202-697-9
• MDL号: MFCD00007445
• Beilstein号: 746543
• PubChem SID: 24850336; 24856461; 162033280
• PubChem CID: 7404

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 1.8595331
• LogD (pH = 7.4): 1.8595331
• Log P: 1.8595331
• 摩尔折射率: 46.5727 cm^3
• 极化性: 18.456501 Å^3
• 极化表面积: 77.28 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

• 外观: yellow
• 熔点: 66-70 °C(lit.); 75-79 °C; 75-80°C; 76-80°C
• 沸点: 143-144°C/1.5mm; 143-144°C/1.5mm

安全信息

• 保存注意事项: Corrosive/Moisture Sensitive/Store under Argon; IRRITANT; 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; 34-52/53
• 安全公开号: 26-36/37/39-45; 26-36/37/39-45-61
• TSCA收录: false; 是
• GHS危险品标识: GHS05
• GHS警示词: Danger
• GHS危险声明: H314; H314-H318-H402-H412
• 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

产品相关信息

• 纯度: ≥95.0% (AT); 90%; 95+%; 97%
• 级别: purum; technical grade
• 线性分子式: O2NC6H4SO2Cl

详细说明

Sigma Aldrich - 272248

Application
使用 N-nosyl-α-氨基酸进行高效溶液相肽合成。1
包装
5, 25, 100 g in glass bottle

Sigma Aldrich - 170925

包装
25 g in glass bottle

参考文献

• Reagent for formation of 4-nitrobenzenesulfonyl ('Nosyl', Ns) derivatives of alcohols and amines. Nosylamides, formed from amines in the presence of, e.g. triethylamine, are stable to strong acids and bases, but are selectively cleaved by thiolates, e.g. PhSH or mercaptoacetate: Tetrahedron Lett., 36, 6373 (1995). See also 2-isomer (preceding entry).