sodium 3-hydroxy-4-[(E)-2-(1-hydroxynaphthalen-2-yl)diazen-1-yl]naphthalene-1-sulfonate

• ChemBase编号: 103237
• 分子式: C20H13N2NaO5S
• 平均质量: 416.38239
• 单一同位素质量: 416.04428681
• SMILES: [Na+].Oc1cc(c2ccccc2c1/N=N/c1ccc2ccccc2c1O)S(=O)(=O)[O-]
• Canonical SMILES: Oc1cc(c2c(c1/N=N/c1ccc3c(c1O)cccc3)cccc2)S(=O)(=O)[O-].[Na+]
• InChI: InChI=1S/C20H14N2O5S.Na/c23-17-11-18(28(25,26)27)14-7-3-4-8-15(14)19(17)22-21-16-10-9-12-5-1-2-6-13(12)20(16)24;/h1-11,23-24H,(H,25,26,27);/q;+1/p-1
• InChIKey: HOWITLLZNKSJOJ-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: sodium 3-hydroxy-4-[(E)-2-(1-hydroxynaphthalen-2-yl)diazen-1-yl]naphthalene-1-sulfonate; sodium 3-hydroxy-4-[2-(1-hydroxynaphthalen-2-yl)diazen-1-yl]naphthalene-1-sulfonate
• IUPAC传统名: potassium 3-hydroxy-4-[(E)-2-(1-hydroxynaphthalen-2-yl)diazen-1-yl]naphthalene-1-sulfonate; sodium 3-hydroxy-4-[(E)-2-(1-hydroxynaphthalen-2-yl)diazen-1-yl]naphthalene-1-sulfonate; potassium 3-hydroxy-4-[2-(1-hydroxynaphthalen-2-yl)diazen-1-yl]naphthalene-1-sulfonate; sodium 3-hydroxy-4-[2-(1-hydroxynaphthalen-2-yl)diazen-1-yl]naphthalene-1-sulfonate
• 别名: 媒介黑 3; Eriochrome® 铬蓝黑 B; ERIOCHROME BLUE SE; SOLOCHROME BLACK 6B; sodium 3-hydroxy-4-((1-hydroxy-2-naphthyl)azo)Naphthalene-1-sulphonate; Mordant Black 3; ERIOCHROME BLUE BLACK B; Eriochrome® Blue Black B

登记号

• CAS号: 3564-14-5
• EC号: 222-639-6
• MDL号: MFCD00003934
• PubChem SID: 162090566; 24869065
• PubChem CID: 23668100
• Color Index Number: 14640

理论计算性质

• Acid pKa: -2.4230096
• 质子受体: 7
• 质子供体: 2
• LogD (pH = 5.5): 2.5431907
• LogD (pH = 7.4): 2.0463521
• Log P: 2.9075627
• 摩尔折射率: 106.74 cm^3
• 极化性: 42.26872 Å^3
• 极化表面积: 122.38 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

安全信息

• 保存条件: Room Temperature (15-30°C)
• RTECS编号: QK2195000
• 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
• 安全公开号: 26
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H319
• GHS警示性声明: P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: 97%; Dye Content ~60-65%
• 级别: indicator (for complexometry)
• Empirical Formula (Hill Notation): C20H13N2NaO5S

详细说明

MP Biomedicals - 05214698

MP Biomedicals Rare Chemical collection

MP Biomedicals - 05210223

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02151067

C.I. 14640
Dye content: ~ 60-65%

MP Biomedicals - 05201302

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 45540

General description
请访问 滴定中心 了解更多信息。
包装
25 g in poly bottle
法律信息
Eriochrome 注册商标 Huntsman International LLC