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

• ChemBase编号: 107688
• 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/c1c(O)ccc2c1cccc2)S(=O)(=O)[O-]
• Canonical SMILES: Oc1cc(c2c(c1/N=N/c1c(O)ccc3c1cccc3)cccc2)S(=O)(=O)[O-].[Na+]
• InChI: InChI=1S/C20H14N2O5S.Na/c23-16-10-9-12-5-1-2-6-13(12)19(16)21-22-20-15-8-4-3-7-14(15)18(11-17(20)24)28(25,26)27;/h1-11,23-24H,(H,25,26,27);/q;+1/p-1
• InChIKey: ZQWICJYATMSSSD-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: sodium 3-hydroxy-4-[2-(2-hydroxynaphthalen-1-yl)diazen-1-yl]naphthalene-1-sulfonate; sodium 3-hydroxy-4-[(E)-2-(2-hydroxynaphthalen-1-yl)diazen-1-yl]naphthalene-1-sulfonate
• IUPAC传统名: potassium 3-hydroxy-4-[2-(2-hydroxynaphthalen-1-yl)diazen-1-yl]naphthalene-1-sulfonate; potassium 3-hydroxy-4-[(E)-2-(2-hydroxynaphthalen-1-yl)diazen-1-yl]naphthalene-1-sulfonate; sodium 3-hydroxy-4-[2-(2-hydroxynaphthalen-1-yl)diazen-1-yl]naphthalene-1-sulfonate; sodium 3-hydroxy-4-[(E)-2-(2-hydroxynaphthalen-1-yl)diazen-1-yl]naphthalene-1-sulfonate
• 别名: 1-(2-羟基-1-萘偶氮)-2-萘酚-4-磺酸 钠盐; Eriochrome® 铬蓝黑 R; 媒介黑 17; 宫殿铬黑 6BN; ALIZARIN BLUE BLACK BG; ALIZARIN BLUE BLACK; ANTHRACENE BLUE BLACK; 1-(2-Hydroxy-1-naphthylazo)-2-naphthol-4-sulfonic acid sodium salt; Eriochrome® Blue Black R; Mordant Black 17; Palatine Chrome Black 6BN; Calcon™; sodium 3-hydroxy-4-(2-hydroxy-1-naphthylazo)-1-Naphthalenesulphonate

登记号

• CAS号: 1324-21-6; 2538-85-4
• EC号: 219-810-2
• MDL号: MFCD00004069
• Beilstein号: 6041435
• PubChem SID: 162093926; 24869074
• PubChem CID: 23670766
• Color Index Number: 15705

理论计算性质

• Acid pKa: -2.435028
• 质子受体: 7
• 质子供体: 2
• LogD (pH = 5.5): 2.5431607
• LogD (pH = 7.4): 2.045625
• Log P: 2.9358747
• 摩尔折射率: 106.74 cm^3
• 极化性: 42.26914 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

• RTECS编号: QK2200000
• 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
• 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: indicator (for complexometry (Al, Fe, Zr))
• Empirical Formula (Hill Notation): C20H13N2NaO5S

详细说明

MP Biomedicals - 05205068

MP Biomedicals Rare Chemical collection

MP Biomedicals - 05204599

MP Biomedicals Rare Chemical collection

MP Biomedicals - 05212452

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 45550

General description
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法律信息
Calcon 商标 Benckiser
Eriochrome 注册商标 Huntsman International LLC