4-(4-aminophenyl)aniline

• ChemBase编号: 34672
• 分子式: C12H12N2
• 平均质量: 184.23708
• 单一同位素质量: 184.10004839
• SMILES: c1(c2ccc(N)cc2)ccc(N)cc1
• Canonical SMILES: Nc1ccc(cc1)c1ccc(cc1)N
• InChI: InChI=1S/C12H12N2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H,13-14H2
• InChIKey: HFACYLZERDEVSX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-(4-aminophenyl)aniline
• IUPAC传统名: benzidine
• 别名: 4,4'-二氨基联苯; 联苯胺; [1,1'-Biphenyl]-4,4'-diamine; 4,4'-Bianiline; 4,4'-Biphenyldiamine; 4,4'-Diamino-1,1'-biphenyl; 4,4'-Diaminobiphenyl; 4,4'-Diaminodiphenyl; NSC 146476; Benzidine, 95%; 4,4′-Diaminobiphenyl; 1,1'-Biphenyl-4,4'-diamine; Benzidine; Benzidine; di-phenylamine; diphenylamine; Benzidine

登记号

• CAS号: 92-87-5
• EC号: 202-199-1
• MDL号: MFCD00039765
• Beilstein号: 742770
• PubChem SID: 24891617; 24872014; 24869744; 160997979; 24891724; 24847449
• PubChem CID: 7111
• CHEMBL: 15901
• Chemspider ID: 6844
• KEGG ID: C16444
• 维基百科标题: Benzidine

理论计算性质

• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): 1.8946791
• LogD (pH = 7.4): 1.9617064
• Log P: 1.9626193
• 摩尔折射率: 60.595 cm^3
• 极化性: 23.672102 Å^3
• 极化表面积: 52.04 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: 0.94 g/100 mL at 100 °C in water; DMSO; Methanol
• 外观: Off-White Solid; white solid
• 熔点: 122-125 °C; 127-128°C
• 沸点: 400°C
• 密度: 1.250

安全信息

• 保存条件: -20°C Freezer
• 保存注意事项: IRRITANT; Light Sensitive
• RTECS编号: DC9625000
• 欧盟危险性物质标志: 环境危害性(Nature polluting) (N); 有毒(Toxic) (T)
• 联合国危险货物编号: 1885; UN1885
• 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): 2; II
• 危险公开号: 45-22-50/53
• 安全公开号: 53-45-60-61
• TSCA收录: false; 是
• GHS危险品标识: GHS07; GHS08; GHS09
• GHS警示词: Danger
• 主要危害: carcinogenic
• GHS危险声明: H302-H350-H410; H350-H400-H410-H302
• GHS警示性声明: P201-P273-P308 + P313-P501; P281-P273-P301+P312-P308+P313-P405-P501A
• 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
• RID/ADR: UN 1885 6.1/PG 2
• 保存温度: 2-8°C

药理学性质

• 相关基因信息: human ... UGT1A4(54657)

产品相关信息

• 纯度: ≥95%; ≥98.0% (N); 98%
• 级别: analytical standard; analytical standard, for environmental analysis; purum p.a.
• 包装: ampule of 100 mg
• Empirical Formula (Hill Notation): C12H12N2

详细说明

Sigma Aldrich - B1883

Biochem/physiol Actions
Tumor initiator in mammalian liver and urinary bladder.
Caution
OSHA′s Safety and Health Standard 29 CFR 1910 does not apply to a solution or mixture containing less than 0.1%. Injecting a compatible solvent permits preparation of any desired strength solution without exposure to benzidine.
包装
Packaged in a 100 mL serum bottle with butyl rubber stopper and aluminum tear seal.
Reconstitution
Dissolving the contents in 100 mL of solvent yields a 0.1% solution.
法律信息
Isopac is a registered trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - B3503

Biochem/physiol Actions
Initiates tumors in the bladder under experimental conditions.1

Sigma Aldrich - 12115

Other Notes
Reagent for the det. of blood1; Reagent for the det. of peroxidases.; Reagent for the spectrophotometric det. of CN-, NO2-, ClO3-, etc.2,3
Sales restrictions may apply
Application
Benzidine can be used to study bioactive small molecules and cell biology. Benzidine has been used to determine pollen viability and stigma receptivity of Angelica dahurica. Benzidine has also been used to study cross-linking of horseradish peroxidase adsorbed on polycationic films.

Sigma Aldrich - 31614

Caution
仅限于专业用户。注意 - 避免接触 - 使用前请了解特别说明。

Sigma Aldrich - 46080

Caution
仅限于专业用户。注意 - 避免接触 - 使用前请了解特别说明。

Toronto Research Chemicals - B121000

Potentially mutagenic compound.

参考文献

• Dairou, J., et al.: Toxicol. App. Pharmacol., 236, 366 (2009)
• Toropov, A., et al.: Chem. Biol. Drug Design, 73, 482 (2009)