sodium 4-(phenylamino)benzene-1-sulfonate

• ChemBase编号: 103643
• 分子式: C12H10NNaO3S
• 平均质量: 271.26747
• 单一同位素质量: 271.02790847
• SMILES: [Na+].[O-]S(=O)(=O)c1ccc(Nc2ccccc2)cc1
• Canonical SMILES: [O-]S(=O)(=O)c1ccc(cc1)Nc1ccccc1.[Na+]
• InChI: InChI=1S/C12H11NO3S.Na/c14-17(15,16)12-8-6-11(7-9-12)13-10-4-2-1-3-5-10;/h1-9,13H,(H,14,15,16);/q;+1/p-1
• InChIKey: DGXTZMPQSMIFEC-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: sodium 4-(phenylamino)benzene-1-sulfonate
• IUPAC传统名: sodium 4-(phenylamino)benzenesulfonate; potassium 4-(phenylamino)benzenesulfonate
• 别名: 4-(苯氨基)苯磺酸 钠盐; 二苯胺-4-磺酸 钠盐; 二苯胺-4-磺酸钠; 二苯基氨基-4-磺酸钠, 0.005M水溶液; 二苯胺-4-磺酸钠, ACS; Diphenylamine-4-sulfonic acid sodium salt; Sodium diphenylamine-4-sulfonate; p-DIPHENYLAMINESULFONIC ACID SODIUM SALT; p-DIPHENYLAMINE SULFONIC ACID SODIUM SALT; Sodium diphenylamine-4-sulfonate; 4-(Phenylamino)benzenesulfonic acid sodium salt; DIPHENYLAMINE-4-SULFONIC ACID, ACS; Sodium diphenylamine-4-sulfonate, 0.005M solution in water; Sodium diphenylamine-4-sulfonate, ACS; Sodium 4-(phenylamino)benzenesulfonate; sodium 4-(phenylamino)benzene-1-sulfonate

登记号

• CAS号: 6152-67-6
• EC号: 228-165-6
• MDL号: MFCD00036468
• PubChem SID: 24854595; 24859967; 162092411
• PubChem CID: 517002

理论计算性质

• Acid pKa: -3.1855903
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 0.21769214
• LogD (pH = 7.4): 0.21767968
• Log P: 0.9796707
• 摩尔折射率: 64.045 cm^3
• 极化性: 25.54941 Å^3
• 极化表面积: 69.23 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 外观: Liquid; Powder
• 熔点: 200°C; 300 - 302°C
• 疏水性(logP): 1.219

安全信息

• 保存条件: Room Temperature (15-30°C)
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38; R:36/37/38
• 安全公开号: 26-36; 26-37; S:20-25-26-37/39
• TSCA收录: 是
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: 95%; 95+%; 98%
• 浓度: 0.005M solution in water
• 级别: ACS; ACS reagent; indicator for the determination of the redox potential; REAGENT
• 适用性: passes test for indicator; passes test for sensitivity
• 品质说明: E0 in sulfuric acid 1 mol/l = +0,83 volt, rH = 27-29
• Empirical Formula (Hill Notation): C12H10NNaO3S

详细说明

MP Biomedicals - 02152519

ACS Reagent Grade
Sodium Salt

MP Biomedicals - 05225898

MP Biomedicals Rare Chemical collection

MP Biomedicals - 05212686

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 33150

General description
请访问 滴定中心 了解更多信息。

Sigma Aldrich - 242969

包装
25 g in poly bottle
5 g in glass bottle