sodium 2-{2-[4-(dimethylamino)phenyl]diazen-1-yl}benzoate

• ChemBase编号: 102615
• 分子式: C15H14N3NaO2
• 平均质量: 291.28033
• 单一同位素质量: 291.09837098
• SMILES: [Na+].CN(C)c1ccc(cc1)/N=N/c1c(cccc1)C(=O)[O-]
• Canonical SMILES: CN(c1ccc(cc1)/N=N/c1ccccc1C(=O)[O-])C.[Na+]
• InChI: InChI=1S/C15H15N3O2.Na/c1-18(2)12-9-7-11(8-10-12)16-17-14-6-4-3-5-13(14)15(19)20;/h3-10H,1-2H3,(H,19,20);/q;+1/p-1
• InChIKey: GNTPCYMJCJNRQB-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: sodium 2-{2-[4-(dimethylamino)phenyl]diazen-1-yl}benzoate; sodium 2-[(E)-2-[4-(dimethylamino)phenyl]diazen-1-yl]benzoate
• IUPAC传统名: potassium 2-{2-[4-(dimethylamino)phenyl]diazen-1-yl}benzoate; sodium 2-{2-[4-(dimethylamino)phenyl]diazen-1-yl}benzoate; sodium 2-[(E)-2-[4-(dimethylamino)phenyl]diazen-1-yl]benzoate
• 别名: 甲基红 钠盐, ACS; 甲基红 钠盐 溶液; 4-二甲氨基偶氮苯-2′-羧酸 钠盐; 酸性红 2; 甲基红 钠盐; 4-Dimethylaminoazobenzene-2'-carboxylic acid sodium salt; Acid Red 2; METHYL RED SODIUM SALT; 2-[4-(Dimethylamino)phenyl]azobenzoic acid sodium salt; Methyl Red sodium salt, ACS; C.I. 13020; Methyl Red, water soluble; 2-[4-(Dimethylamino)phenylazo]benzoic acid sodium salt; 4-Dimethylaminoazobenzene-2′-carboxylic acid sodium salt; Methyl Red sodium salt solution; METHYL RED; METHYL RED, ACS; Methyl Red sodium salt

登记号

• CAS号: 845-10-3
• EC号: 212-682-9; 231-791-2
• MDL号: MFCD00002426
• Beilstein号: 4065488
• PubChem SID: 24847176; 162088490; 24897234
• PubChem CID: 4465632
• Color Index Number: 13020

理论计算性质

• Acid pKa: 3.1543539
• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 2.0194206
• LogD (pH = 7.4): 0.73341477
• Log P: 3.31109
• 摩尔折射率: 92.8989 cm^3
• 极化性: 28.625122 Å^3
• 极化表面积: 68.09 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

• 溶解度: H2O: soluble
• 外观: Crystalline
• 熔点: 275-281°C
• 密度: 0.989 g/mL at 25 °C
• 紫外吸收波长: λmax 437 nm

安全信息

• 保存条件: Room Temperature (15-30°C)
• 欧盟危险性物质标志: X
• 德国WGK号: 3
• 危险公开号: 22
• 安全公开号: 36
• TSCA收录: 是
• GHS危险品标识: GHS06
• GHS危险声明: H301
• GHS警示性声明: P264-P270-P301+P310-P321-P405-P501A
• 个人保护装置: Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US); Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 浓度: 0.1 wt. % in H2O
• 级别: ACS; ACS reagent; indicator (pH 4.2-6.2); REAGENT
• 主要成分: Dye content, 95%
• pH范围: 4.2 - 6.2, pink to yellow
• 变色范围: 4.2 - 6.2, pink to yellow
• 线性分子式: (CH3)2NC6H4N=NC6H4CO2Na
• Empirical Formula (Hill Notation): C15H14N3NaO2

详细说明

MP Biomedicals - 02152547

ACS Reagent Grade
Sodium Salt

MP Biomedicals - 02102346

Sodium Salt
Indicator pH range: 4.2-6.3
Crystalline

MP Biomedicals - 05216107

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 114502

包装
25, 100 g in glass bottle

Sigma Aldrich - M8256

包装
25 g in glass bottle