1-fluoro-4-iodobenzene

• ChemBase编号: 7499
• 分子式: C6H4FI
• 平均质量: 221.9988332
• 单一同位素质量: 221.93417635
• SMILES: Fc1ccc(cc1)I
• Canonical SMILES: Fc1ccc(cc1)I
• InChI: InChI=1S/C6H4FI/c7-5-1-3-6(8)4-2-5/h1-4H
• InChIKey: KGNQDBQYEBMPFZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-fluoro-4-iodobenzene
• IUPAC传统名: benzene, 1-fluoro-4-iodo-
• 别名: 对氟碘苯; 1-氟-4-碘苯; 4-Fluoroiodobenzene; p-FLUOROIODOBENZENE; 4-Fluoroiodobenzene; 4-Fluoroiodobenzene 99%; 1-Fluoro-4-iodobenzene; 4-Fluoroiodobenzene; 1-Fluoro-4-iodobenzene

登记号

• CAS号: 352-34-1
• EC号: 206-522-7
• MDL号: MFCD00001052
• Beilstein号: 1853970
• PubChem SID: 24853127; 160970806
• PubChem CID: 9605

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 3.0448923
• LogD (pH = 7.4): 3.0448923
• Log P: 3.0448923
• 摩尔折射率: 39.6369 cm^3
• 极化性: 15.323858 Å^3
• 极化表面积: 0.0 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

• 熔点: -20 °C(lit.); -20°C; -20°C
• 沸点: 182-184 °C(lit.); 182-184°C; 182-184°C
• 闪点: 154.4 °F; 68 °C; 68°C; 68°C(154°F)
• 密度: 1.925; 1.925 g/mL at 25 °C(lit.)
• 折射率: 1.583; 1.5830; n20/D 1.583(lit.)

安全信息

• 保存注意事项: IRRITANT; Irritant/Light Sensitive/Keep Cold; Light Sensitive
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 26-36; 26-37-60
• TSCA收录: true; 是
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335; H315-H319-H335-H227
• GHS警示性声明: P210-P305+P351+P338-P302+P352-P321-P405-P501A; P261-P305 + P351 + P338
• 个人保护装置: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

产品相关信息

• 纯度: 97%; 98%; 99%
• 其他组分: copper as stabilizer
• 线性分子式: FC6H4I

详细说明

MP Biomedicals - 05210196

MP Biomedicals Rare Chemical collection

Apollo Scientific Ltd - PC3780

Tet. Lett., 33 7499 (1992): Using LDA regioselective metallation can be achieved ortho- to the fluorine atom.J.Med.Chem,40,717(1997):5-iodoanthranilic acid & deriv.

Sigma Aldrich - 219428

包装
5, 50 g in glass bottle

参考文献

• Regioselective metallation can be accomplished with LDA ortho to the fluoro substituent: Tetrahedron Lett., 33, 7499 (1992). Subsequent carboxylation and F ^- displacement with an amine has been used to synthesize 5-iodoanthranilic acid derivatives: J. Med. Chem., 40, 717 (1997).