N-phenylacetamide

• ChemBase编号: 73094
• 分子式: C8H9NO
• 平均质量: 135.16316
• 单一同位素质量: 135.06841391
• SMILES: CC(=O)Nc1ccccc1
• Canonical SMILES: CC(=O)Nc1ccccc1
• InChI: InChI=1S/C8H9NO/c1-7(10)9-8-5-3-2-4-6-8/h2-6H,1H3,(H,9,10)
• InChIKey: FZERHIULMFGESH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-phenylacetamide
• IUPAC传统名: anilide; acetanilide
• 别名: N-苯乙酰胺; 乙酰苯胺; N-phenylacetamide; Acetanil; Acetamidobenzene; Acetylaniline; NSC 7636; Acetanilide; Acetanilide; N-Phenyl-acetamide; N-Acetyl-benzenamine; Antifebrin; Acetoanilide; NSC 203231; Phenalgene; Phenalgin; Acetylaniline; N-Phenylacetamide; N-Acetylaniline

登记号

• CAS号: 103-84-4
• EC号: 203-150-7
• MDL号: MFCD00008674
• Beilstein号: 606468
• 默克索引号: 1450
• PubChem SID: 24864695; 162038014; 24864694; 24847121; 24845022; 24845023
• PubChem CID: 904
• CHEBI ID: 28884
• CHEMBL: 269644
• Chemspider ID: 880
• KEGG ID: C07565
• 美国药典/FDA物质标识码: SP86R356CC
• 维基百科标题: Acetanilide

理论计算性质

• Acid pKa: 14.3760395
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 1.2109562
• LogD (pH = 7.4): 1.2109561
• Log P: 1.2109562
• 摩尔折射率: 40.921 cm^3
• 极化性: 15.206652 Å^3
• 极化表面积: 29.1 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: <0.1 g/100 mL at 22 °C in water; Soluble in ethanol, diethyl ether, acetone, benzene
• 熔点: 113-115 °C; 113-115 °C(lit.); 113-116 °C; 113-116°C; 114.3 °C (236.7 °F)
• 沸点: 304 °C (579 °F); 304 °C(lit.); 304-305°C
• 闪点: 161 °C; 161°C(321°F); 321.8 °F
• 自燃点: 1004 °F; 545 °C (1013 °F)
• 密度: 1.121; 1.219 g/cm^3
• 蒸汽压: 1 mmHg ( 114 °C); 2 Pa (20 °C)
• 蒸汽密度: 4.65 (vs air)
• 分配系数: 1.16 (23 °C)

安全信息

• 保存条件: -20°C
• RTECS编号: AD7350000
• 欧盟危险性物质标志: X; 有害性(Harmful) (Xn)
• 德国WGK号: 1
• 危险公开号: 22-36/37/38
• 安全公开号: 22-26-36; 26-36/37
• TSCA收录: 是
• 欧盟危险品索引: Not listed
• GHS危险品标识: : Acute Tox. (oral) 4; GHS07
• GHS警示词: WARNING; Warning
• GHS危险声明: 302; H302-H315-H319-H335
• GHS警示性声明: 264, 270, 301+312, 330, 501; P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: ≥98.0% (HPLC); ≥99% (from N); ≥99.5% (CHN); ≥99.9%; ≥99.95%; 98%; 99%
• 级别: puriss.; puriss. p.a.; zone-refined
• 成盐信息: Free Base
• 燃烧残渣: ≤0.1% (as SO4)
• 杂质: ≤0.001% heavy metals (as Pb)
• 提纯方法: sublimation
• Pharmacopeia Traceability: traceable to USP 1004001
• 线性分子式: CH3CONHC6H5

详细说明

Selleck Chemicals - S2538

Research Area: Neurological Disease
Biological Activity:
Acetanilide (Antifebrin) is an aniline derivative and has possess analgesic. Acetanilide is used as an inhibitor in hydrogen peroxide. Acetanilide (Antifebrin) is used to stabilize cellulose ester varnishes. Acetanilide (Antifebrin) has also found uses in the intermediation in rubber accelerator synthesis, dyes and dye intermediate synthesis, and camphor synthesis. Acetanilide (Antifebrin) is used for the production of 4-acetamidobenzenesulfonyl chloride, a key intermediate for the manufacture of the sulfa drugs. Acetanilide (Antifebrin) is also a precursor in the synthesis of penicillin and other pharmaceuticals. [1][2][3]

Sigma Aldrich - 397237

包装
1, 5 g in glass bottle

Sigma Aldrich - 397229

包装
5, 25 g in glass bottle

Sigma Aldrich - 112933

包装
1 kg in poly bottle
100, 500 g in poly bottle
5 g in glass bottle

Sigma Aldrich - 00401

Application
适合用作 C、H、N、O 测定的标准品

Toronto Research Chemicals - A168330

The first aniline derivative found to possess analgesic and antipyretic properties. An Acetaminophen (A161220) impurity.

参考文献

• LESTER D et al. J Pharmacol Exp Ther. 1947 May; 90(1):68-75.
• Gohil, V., et al.: Nat. Biotechnol., 28, 249 (2010)
• Chang, C., et al.: J. Nat. Prod., 73, 229 (2010)