4-iodoaniline

• ChemBase编号: 8573
• 分子式: C6H6IN
• 平均质量: 219.02301
• 单一同位素质量: 218.9544972
• SMILES: Ic1ccc(cc1)N
• Canonical SMILES: Nc1ccc(cc1)I
• InChI: InChI=1S/C6H6IN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2
• InChIKey: VLVCDUSVTXIWGW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-iodoaniline
• IUPAC传统名: benzenamine, 4-iodo-
• 别名: 4-碘苯胺; p-IODOANILINE; 4-Iodoaniline; 4-Iodoaniline 98%; 4-Iodoaniline; 1-Iodo-4-aminobenzene; 4-Iodobenzenamine; 4-Iodobenzeneamine; 4-Iodophenylamine; NSC 9246; p-Aminoiodobenzene; p-Aminophenyl Iodide; p-Iodoaniline

登记号

• CAS号: 540-37-4
• EC号: 208-743-4
• MDL号: MFCD00007848
• Beilstein号: 774101
• 默克索引号: 145027
• PubChem SID: 24880547; 160971880; 24847899
• PubChem CID: 10893

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 2.0635219
• LogD (pH = 7.4): 2.0731404
• Log P: 2.0732644
• 摩尔折射率: 44.1209 cm^3
• 极化性: 16.621946 Å^3
• 极化表面积: 26.02 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: Chloroform; Methanol
• 外观: Dark Purple Solid
• 熔点: 59-61°C; 61-63 °C; 61-63 °C(lit.); 61-63°C; 61-64°C; 63-65°C

安全信息

• 保存条件: Refrigerator
• 保存注意事项: Harmful/Irritant/Light Sensitive/Keep Cold; IRRITANT, LIGHT SENSITIVE, TOXIC; Light Sensitive
• RTECS编号: BY3850000
• 欧盟危险性物质标志: X; 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 20/21/22-36/37/38; 22-36/37/38; R:22
• 安全公开号: 26; 26-36/37; S:36/37/39
• TSCA收录: true; 是
• GHS危险品标识: GHS06; GHS07
• GHS警示词: Warning
• GHS危险声明: H301-H311-H332-H315-H319-H335; H302-H315-H319-H335
• GHS警示性声明: P261-P301+P310-P305+P351+P338-P361-P405-P501A; P261-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: ≥97.0% (NT); 97%; 98%
• 级别: purum
• 线性分子式: IC6H4NH2

详细说明

MP Biomedicals - 05202862

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 129364

包装
25, 100 g in glass bottle

Toronto Research Chemicals - I686800

4-Iodoaniline is a iodine substituted aniline that is widely used as chemical intermediates in the manufacturing of pesticides, dyes and drugs. 4-Iodoaniline was shown to be a more potent nephrotoxicant in vitro than other anilines.

参考文献

• Hong, S.K. et al.: Toxicol. Lett., 114, 125 (2000)
• Matrka, M. et al.: Ces.-Slov. Hyg., 23, 168 (1978):