sodium 4-{2-[4-(diethylamino)phenyl]diazen-1-yl}benzene-1-sulfonate

• ChemBase编号: 104992
• 分子式: C16H18N3NaO3S
• 平均质量: 355.38719
• 单一同位素质量: 355.09665673
• SMILES: [Na+].CCN(CC)c1ccc(cc1)/N=N/c1ccc(cc1)S(=O)(=O)[O-]
• Canonical SMILES: CCN(c1ccc(cc1)/N=N/c1ccc(cc1)S(=O)(=O)[O-])CC.[Na+]
• InChI: InChI=1S/C16H19N3O3S.Na/c1-3-19(4-2)15-9-5-13(6-10-15)17-18-14-7-11-16(12-8-14)23(20,21)22;/h5-12H,3-4H2,1-2H3,(H,20,21,22);/q;+1/p-1
• InChIKey: YZORUOZKRBVLEG-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: sodium 4-{2-[4-(diethylamino)phenyl]diazen-1-yl}benzene-1-sulfonate
• IUPAC传统名: sodium 4-{2-[4-(diethylamino)phenyl]diazen-1-yl}benzenesulfonate; potassium 4-{2-[4-(diethylamino)phenyl]diazen-1-yl}benzenesulfonate
• 别名: 4-(4-Diethylaminophenylazo)benzenesulfonic acid sodium salt; Ethyl Orange sodium salt; ETHYL ORANGE

登记号

• CAS号: 62758-12-7
• EC号: 263-716-4
• MDL号: MFCD00007503
• Beilstein号: 3821641
• PubChem SID: 162092309; 24851926
• PubChem CID: 23676309

理论计算性质

• Acid pKa: -2.8674273
• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): 2.4240274
• LogD (pH = 7.4): 2.0148263
• Log P: 3.334122
• 摩尔折射率: 93.8036 cm^3
• 极化性: 34.56291 Å^3
• 极化表面积: 85.16 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

理化性质

• 紫外吸收波长: λmax 474 nm

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
• 安全公开号: 26
• 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
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: Dye Content ~75%; Dye Content ~85%
• 级别: indicator grade
• 主要成分: Dye content, 90%
• 变色范围: 3.0 - 4.8, red to orange
• 线性分子式: (C2H5)2NC6H4N=NC6H4SO3Na

详细说明

MP Biomedicals - 02158005

Indicator:
pH 3.0 (red) - pH 4.5 (yellow)
Free Acid
Dye content: ~ 75%

MP Biomedicals - 02158006

Indicator:
pH 3.0 (red) - pH 4.5 (yellow)
Sodium Salt
Dye content: ~ 85%

Sigma Aldrich - 199567

包装
10, 100 g in glass bottle