4-aminophenol

• ChemBase编号: 92304
• 分子式: C6H7NO
• 平均质量: 109.12588
• 单一同位素质量: 109.05276385
• SMILES: Oc1ccc(cc1)N
• Canonical SMILES: Nc1ccc(cc1)O
• InChI: InChI=1S/C6H7NO/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H2
• InChIKey: PLIKAWJENQZMHA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-aminophenol
• IUPAC传统名: aminophenol
• 别名: 对羟基苯胺; 4-氨基苯酚; p-Aminophenol; 1-Amino-4-hydroxybenzene; 4-Amino-1-hydroxybenzene; 4-Hydroxy-1-aminobenzene; 4-Hydroxybenzenamine; 4-Hydroxyphenylamine; Activol; Azol; Benzofur P; Certinal; Citol; Fouramine P; Fourrine 84; NSC 1545; Paranol; Rodinal; Unal; Ursol P; p-Hydroxyaniline; p-Hydroxyphenylamine; p-AMINOPHENOL; 4-Aminophenol; 4-Hydroxyaniline; 4-Aminophenol

登记号

• CAS号: 123-30-8
• EC号: 204-616-2
• MDL号: MFCD00007869
• Beilstein号: 385836
• 默克索引号: 14462
• PubChem SID: 162079002; 24861974; 24891177; 24881780
• PubChem CID: 403
• CHEBI ID: 17602
• CHEMBL: 1142
• Chemspider ID: 392
• KEGG ID: C02372
• 医学主题词(MeSH): Aminophenols
• 美国药典/FDA物质标识码: R7P8FRP05V
• 维基百科标题: 4-Aminophenol

理论计算性质

• Acid pKa: 10.399948
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): 0.57626426
• LogD (pH = 7.4): 0.8355824
• Log P: 0.84075457
• 摩尔折射率: 32.7393 cm^3
• 极化性: 12.069466 Å^3
• 极化表面积: 46.25 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: 1.5 g/100 ml (25 °C) in water; DMSO; Methanol
• 外观: White Solid
• 熔点: 163-165°C (dec.); 185-189 °C; 185-189 °C(lit.); 186-188 °C; 186-189 °C; 186-189°C; 186-190°C; 188–190 °C
• 沸点: 284 °C; 284°C; 284°C dec.
• 闪点: 195 °C; 195°C(383°F); 383 °F
• 密度: 1.13 g/cm^3; 1.29

安全信息

• 保存条件: Hygroscopic, Refrigerator, Under Inert Atmosphere
• RTECS编号: SJ5075000
• 欧盟危险性物质标志: Carc2; Muta2; 环境危害性(Nature polluting) (N); Repr3; 有毒(Toxic) (T); X; 有害性(Harmful) (Xn)
• 联合国危险货物编号: 2512; UN2512
• 德国WGK号: 3
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): 3; III
• 危险公开号: 20/22-50/53-68; 20/22-68-50/53; R:20/22-40-50/53; R20/21, R22, R40; R52, Rlink#R54, R68
• 安全公开号: 28.2-36/37-60-61; 28-36/37-60-61; S:28-60-61-36/37; S28, S36, S37; S60, S61
• TSCA收录: 是
• 欧盟危险品索引: 616-003-00-0
• GHS危险品标识: GHS07; GHS08; GHS09
• GHS警示词: Warning
• NFPA704:
  

  1

  2

  0
• GHS危险声明: H302 + H332-H341-H410; H302-H332-H341-H410; H341-H400-H410-H302-H332
• GHS警示性声明: P273-P281-P501; P280H-P273-P302+P352-P501A
• 个人保护装置: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• RID/ADR: UN 2512 6.1/PG 3

产品相关信息

• 纯度: ≥97.0% (HPLC); ≥98%; ≥98.0% (HPLC); ≥99% (HPLC); 95%; 98%
• 级别: certified reference material; PESTANAL®, analytical standard; purum; technical; technical grade
• 包装: pkg of 1 g
• 燃烧残渣: ≤1%
• Pharmacopeia Traceability: traceable to USP 1021204
• 线性分子式: H2NC6H4OH

详细说明

MP Biomedicals - 05204138

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 245992

包装
250 g in glass bottle

Sigma Aldrich - PHR1148

General description
This certified reference material (CRM) is produced and certified in accordance with ISO/IEC 17025 and ISO Guide 34.
Other Notes
Values of analytes vary lot to lot.

Sigma Aldrich - 35837

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
法律信息
PESTANAL 注册商标 Sigma-Aldrich Laborchemikalien GmbH
Other Notes
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. 35837.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.

Sigma Aldrich - A71328

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

Toronto Research Chemicals - A618920

Nephrotoxic metabolite of Acetaminophen (A161220) and Phenacetin (P294580).

参考文献

• Watanabe, et al.: Drug Metab. Dispos., 38, 1532 (2010)