N-{4-[2-(2-hydroxy-5-methylphenyl)diazen-1-yl]phenyl}acetamide

• ChemBase编号: 104954
• 分子式: C15H15N3O2
• 平均质量: 269.2985
• 单一同位素质量: 269.11642674
• SMILES: CC(=O)Nc1ccc(cc1)/N=N/c1c(O)ccc(C)c1
• Canonical SMILES: CC(=O)Nc1ccc(cc1)/N=N/c1cc(C)ccc1O
• InChI: InChI=1S/C15H15N3O2/c1-10-3-8-15(20)14(9-10)18-17-13-6-4-12(5-7-13)16-11(2)19/h3-9,20H,1-2H3,(H,16,19)
• InChIKey: PXOZAFXVEWKXED-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-{4-[2-(2-hydroxy-5-methylphenyl)diazen-1-yl]phenyl}acetamide
• IUPAC传统名: N-{4-[2-(2-hydroxy-5-methylphenyl)diazen-1-yl]phenyl}acetamide
• 别名: 4-(2-羟基-5-甲基苯基偶氮)乙酰苯胺; N-[4-(2-羟基-5-甲苯基偶氮)苯基]乙酰胺; 分散黄 3; 4-(2-Hydroxy-5-methylphenylazo)acetanilide; N-[4-(2-Hydroxy-5-methylphenylazo)phenyl]acetamide; Disperse Yellow 3; DISPERSE YELLOW 3

登记号

• CAS号: 2832-40-8
• EC号: 220-600-8
• MDL号: MFCD00002377
• Beilstein号: 1915225
• PubChem SID: 24846880; 24852911; 162092080
• PubChem CID: 5372015
• Color Index Number: 11855

理论计算性质

• Acid pKa: 12.374327
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): 3.8267047
• LogD (pH = 7.4): 3.8267014
• Log P: 3.826706
• 摩尔折射率: 82.2621 cm^3
• 极化性: 28.811468 Å^3
• 极化表面积: 74.05 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 268-270 °C(lit.)
• 紫外吸收波长: λmax 357 nm

安全信息

• 保存条件: Room Temperature (15-30°C)
• RTECS编号: AC3662000
• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 40-43
• 安全公开号: 22-36/37-46
• GHS危险品标识: GHS07; GHS08
• GHS警示词: Warning
• GHS危险声明: H317-H351
• GHS警示性声明: P280
• 个人保护装置: Eyeshields, Faceshields, 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 ~30%
• 级别: analytical standard, for food analysis; for microscopy
• 主要成分: Dye content, 30%
• Empirical Formula (Hill Notation): C15H15N3O2

详细说明

MP Biomedicals - 02157883

C.I. 11855
Dye content: ~ 30%

Sigma Aldrich - 215686

包装
50 g in glass bottle

Sigma Aldrich - 28225

Other Notes
Dye standard for the assay of allergy-inducing dyes in textiles1,2