sodium 3-hydroxy-4-[2-(1-hydroxynaphthalen-2-yl)diazen-1-yl]-7-nitronaphthalene-1-sulfonate

• ChemBase编号: 127291
• 分子式: C20H12N3NaO7S
• 平均质量: 461.37995
• 单一同位素质量: 461.02936502
• SMILES: [Na+].[O-]S(=O)(=O)c1cc(O)c(/N=N/c2ccc3ccccc3c2O)c2ccc(cc12)[N+](=O)[O-]
• Canonical SMILES: Oc1cc(c2c(c1/N=N/c1ccc3c(c1O)cccc3)ccc(c2)[N+](=O)[O-])S(=O)(=O)[O-].[Na+]
• InChI: InChI=1S/C20H13N3O7S.Na/c24-17-10-18(31(28,29)30)15-9-12(23(26)27)6-7-14(15)19(17)22-21-16-8-5-11-3-1-2-4-13(11)20(16)25;/h1-10,24-25H,(H,28,29,30);/q;+1/p-1
• InChIKey: AMMWFYKTZVIRFN-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: sodium 3-hydroxy-4-[2-(1-hydroxynaphthalen-2-yl)diazen-1-yl]-7-nitronaphthalene-1-sulfonate; sodium 3-hydroxy-4-[(E)-2-(1-hydroxynaphthalen-2-yl)diazen-1-yl]-7-nitronaphthalene-1-sulfonate
• IUPAC系统名: Sodium 4-[2-(1-hydroxynaphthalen-2-yl); hydrazin-1-ylidene]-7-nitro-3-oxo-3,4-; dihydronaphthalene-1-sulfonate
• IUPAC传统名: sodium 3-hydroxy-4-[2-(1-hydroxynaphthalen-2-yl)diazen-1-yl]-7-nitronaphthalene-1-sulfonate; sodium 3-hydroxy-4-[(E)-2-(1-hydroxynaphthalen-2-yl)diazen-1-yl]-7-nitronaphthalene-1-sulfonate
• 别名: 铬黑T; 媒介黑 11; Eriochrome® 铬黑 T; Eriochrome® 铬黑 T 溶液; Sodium 4-[2-(1-hydroxynaphthalen-2-yl); hydrazin-1-ylidene]-7-nitro-3-oxonaphthalene-; 1-sulfonate; Solochrome Black T; ET-00; Eriochrome Black T; C.I. 14645; Eriochrome Black T; Mordant Black 11; Eriochrome® Black T; Eriochrome® Black T solution

登记号

• CAS号: 1787-61-7
• EC号: 217-250-3
• MDL号: MFCD00003935
• Beilstein号: 4121162
• 默克索引号: 143667
• PubChem SID: 162221612; 24888460; 24859668
• PubChem CID: 6808871; 5351620
• Chemspider ID: 10483790
• 医学主题词(MeSH): Eriochrome+black+T
• 维基百科标题: Eriochrome_Black_T
• Color Index Number: 14645

理论计算性质

• Acid pKa: -2.672875
• 质子受体: 9
• 质子供体: 2
• LogD (pH = 5.5): 2.4259336
• LogD (pH = 7.4): 1.3761574
• Log P: 2.7242248
• 摩尔折射率: 113.0605 cm^3
• 极化性: 44.15969 Å^3
• 极化表面积: 165.52 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 外观: Dark red/brown powder
• 闪点: 185 °C; 365 °F
• 紫外吸收波长: λmax 503 nm

安全信息

• RTECS编号: QK2197000
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 联合国危险货物编号: 2923
• 德国WGK号: 2
• 危险公开号: 36/37/38
• 安全公开号: 26-37; 26-37/39
• TSCA收录: 是
• GHS危险品标识: GHS07
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305+P351+P338-P302+P352-P321-P405-P501A
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 级别: ACS reagent (indicator grade); indicator for metal titration; Reag. Ph. Eur.; SAJ special grade
• 主要成分: Dye content, ≥60%
• 适用性: complies for curve course (UV); complies for indicator; complies for suitability for complexometry; passes test for complexometric indicator; suitable for metal indicator
• 溶液透明度: passes test
• Empirical Formula (Hill Notation): C20H12N3NaO7S

详细说明

Sigma Aldrich - 32751

General description
请访问 滴定中心 了解更多信息。
法律信息
Eriochrome 注册商标 Huntsman International LLC

Sigma Aldrich - 858390

包装
1 kg in glass bottle
100, 500 g in glass bottle
法律信息
Eriochrome 注册商标 Huntsman International LLC

Sigma Aldrich - E2377

法律信息
Eriochrome 注册商标 Huntsman International LLC

Sigma Aldrich - 09-0400

法律信息
Eriochrome 注册商标 Huntsman International LLC

Sigma Aldrich - 09-0410

Suitability
for titration
法律信息
Eriochrome 注册商标 Huntsman International LLC