disodium 4,5-dihydroxy-3-(2-phenyldiazen-1-yl)naphthalene-2,7-disulfonate

• ChemBase编号: 107261
• 分子式: C16H10N2Na2O8S2
• 平均质量: 468.36874
• 单一同位素质量: 467.96739585
• SMILES: [Na+].[Na+].Oc1cc(cc2c1c(O)c(/N=N/c1ccccc1)c(c2)S(=O)(=O)[O-])S(=O)(=O)[O-]
• Canonical SMILES: Oc1cc(cc2c1c(O)c(c(c2)S(=O)(=O)[O-])/N=N/c1ccccc1)S(=O)(=O)[O-].[Na+].[Na+]
• InChI: InChI=1S/C16H12N2O8S2.2Na/c19-12-8-11(27(21,22)23)6-9-7-13(28(24,25)26)15(16(20)14(9)12)18-17-10-4-2-1-3-5-10;;/h1-8,19-20H,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2
• InChIKey: GXEAXHYQKZAJGB-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: disodium 4,5-dihydroxy-3-(2-phenyldiazen-1-yl)naphthalene-2,7-disulfonate; disodium 4,5-dihydroxy-3-[(E)-2-phenyldiazen-1-yl]naphthalene-2,7-disulfonate
• IUPAC传统名: dipotassium 4,5-dihydroxy-3-(2-phenyldiazen-1-yl)naphthalene-2,7-disulfonate; disodium 4,5-dihydroxy-3-(2-phenyldiazen-1-yl)naphthalene-2,7-disulfonate; disodium 4,5-dihydroxy-3-[(E)-2-phenyldiazen-1-yl]naphthalene-2,7-disulfonate
• 别名: 铬变素 2R; AZOFUCHSIN; C.I. 16570; disodium 4,5-dihydroxy-3-phenylazoNaphthalene-2,7-disulphonate; 2-(Phenylazo)chromotropic acid disodium salt; Acid Red 29; Chromotrope 2R

登记号

• CAS号: 4197-07-3; 839148
• EC号: 224-085-0
• MDL号: MFCD00003955
• PubChem SID: 162093349; 24892586
• PubChem CID: 5359970
• Color Index Number: 16570

理论计算性质

• Acid pKa: -3.0632744
• 质子受体: 10
• 质子供体: 2
• LogD (pH = 5.5): -1.6411681
• LogD (pH = 7.4): -2.124303
• Log P: -1.0383534
• 摩尔折射率: 99.7906 cm^3
• 极化性: 39.40948 Å^3
• 极化表面积: 179.58 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

• 紫外吸收波长: λmax 510 nm; λmax 530 nm (2nd)

安全信息

• RTECS编号: QJ6418000
• 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: 26-36
• TSCA收录: 否
• 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: 97%
• 级别: for microscopy (Hist.); indicator (for complexometry)
• 主要成分: Dye content, ≥70%; Dye content, 75%
• 适用性: suitable for modified Gomori Trichrome stain
• Empirical Formula (Hill Notation): C16H10N2Na2O8S2

详细说明

Sigma Aldrich - C3143

包装
25, 100 g in glass bottle

参考文献

• Indicator for complexometry.