disodium 4-[(E)-2-(2,4-dimethylphenyl)diazen-1-yl]-3-hydroxynaphthalene-2,7-disulfonate

• ChemBase编号: 104536
• 分子式: C18H14N2Na2O7S2
• 平均质量: 480.4225
• 单一同位素质量: 480.00378136
• SMILES: [Na+].[Na+].Cc1cc(C)c(cc1)/N=N/c1c2ccc(cc2cc(c1O)S(=O)(=O)[O-])S(=O)(=O)[O-]
• Canonical SMILES: Cc1ccc(c(c1)C)/N=N/c1c2ccc(cc2cc(c1O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
• InChI: InChI=1S/C18H16N2O7S2.2Na/c1-10-3-6-15(11(2)7-10)19-20-17-14-5-4-13(28(22,23)24)8-12(14)9-16(18(17)21)29(25,26)27;;/h3-9,21H,1-2H3,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2
• InChIKey: YJVBLROMQZEFPA-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: disodium 4-[(E)-2-(2,4-dimethylphenyl)diazen-1-yl]-3-hydroxynaphthalene-2,7-disulfonate; disodium 4-[2-(2,4-dimethylphenyl)diazen-1-yl]-3-hydroxynaphthalene-2,7-disulfonate
• IUPAC传统名: disodium 4-[(E)-2-(2,4-dimethylphenyl)diazen-1-yl]-3-hydroxynaphthalene-2,7-disulfonate; dipotassium 4-[2-(2,4-dimethylphenyl)diazen-1-yl]-3-hydroxynaphthalene-2,7-disulfonate; disodium 4-[2-(2,4-dimethylphenyl)diazen-1-yl]-3-hydroxynaphthalene-2,7-disulfonate
• 别名: 丽春红 2R; 丽春红 C; 罂粟红 2R; 酸性红 26; 二甲苯胺丽春红; Ponceau Xylidine; XYLIDINE RED; C.I. 16150; Xylidene Ponceau 2R; PONCEAU 2R; BRILLIANT PONCEAU G; Acid Red 26; Ponceau 2 R; Xylidine ponceau 2R; Xylidine ponceau

登记号

• CAS号: 3761-53-3
• EC号: 223-178-3
• MDL号: MFCD00003897
• Beilstein号: 5709350
• PubChem SID: 162091669; 24887784; 24898320
• PubChem CID: 6364570
• Color Index Number: 16150

理论计算性质

• Acid pKa: -2.935511
• 质子受体: 9
• 质子供体: 1
• LogD (pH = 5.5): 0.35089692
• LogD (pH = 7.4): 0.34912288
• Log P: 1.2122793
• 摩尔折射率: 107.8921 cm^3
• 极化性: 42.260593 Å^3
• 极化表面积: 159.35 Å^2
• 可自由旋转的化学键: 4
• 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: QJ6825000
• 欧盟危险性物质标志: 有毒(Toxic) (T); 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 40; R:45
• 安全公开号: 36; S:28-36/37/39-45-53
• GHS危险品标识: GHS08
• GHS警示词: Warning
• GHS危险声明: H351
• GHS警示性声明: P281
• 个人保护装置: Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges

产品相关信息

• 纯度: ≥96.0% (HPLC); Dye Content ~60%
• 级别: analytical standard, for food analysis; for microscopy
• 主要成分: Dye content, ≥60%
• Empirical Formula (Hill Notation): C18H14N2Na2O7S2

详细说明

MP Biomedicals - 05219993

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02156334

C.I. 16150
(Acid Red 26;
Xylidine Ponceau 2R)
Dye content: ~ 60%

MP Biomedicals - 05214339

MP Biomedicals Rare Chemical collection

Sigma Aldrich - P2395

包装
25, 50 g in glass bottle