4-fluoroaniline

• ChemBase编号: 8753
• 分子式: C6H6FN
• 平均质量: 111.1169432
• 单一同位素质量: 111.04842742
• SMILES: Fc1ccc(cc1)N
• Canonical SMILES: Nc1ccc(cc1)F
• InChI: InChI=1S/C6H6FN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2
• InChIKey: KRZCOLNOCZKSDF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-fluoroaniline
• IUPAC传统名: 4-fluoroaniline
• 别名: 对氟苯胺; 4-氟苯胺; 4-Fluoroaniline; 4-Fluoroaniline; 4-FLUOROANILINE HYDROCHLORIDE; 4-Fluorobenzenamine; 4-Fluorophenylamine; NSC 579; p-Fluoroaniline; p-Fluorophenylamine; 4-Fluoroaniline 99%; 1-Amino-4-fluorobenzene; 4-Fluoroaniline; p-FLUOROANILINE

登记号

• CAS号: 371-40-4
• EC号: 206-735-5
• MDL号: MFCD00007829
• Beilstein号: 742030
• 默克索引号: 144169
• PubChem SID: 24894858; 24870230; 160972060
• PubChem CID: 9731

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 1.2784358
• LogD (pH = 7.4): 1.2869127
• Log P: 1.2870218
• 摩尔折射率: 30.9748 cm^3
• 极化性: 11.131649 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

• 熔点: -2°C
• 沸点: 186-187°C; 186-187°C; 187 °C/767 mmHg(lit.)
• 闪点: 165.2 °F; 73°C; 73°C(163°F); 74 °C
• 密度: 1.158; 1.173; 1.173 g/mL at 25 °C(lit.)
• 折射率: 1.54; 1.5400; n20/D 1.539(lit.); n20/D 1.540

安全信息

• 保存注意事项: IRRITANT, TOXIC; Toxic/Corrosive/Harmful/Light Sensitive/Air Sensitive/Keep Cold/Store under Argon
• RTECS编号: BY1575000
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C); X
• 联合国危险货物编号: 2941; UN2941
• 德国WGK号: 1; 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: 20/21/22-33-34; 22-34
• 安全公开号: 26-28-36/37/39-45; 26-36/37/39-45
• TSCA收录: true; 是
• GHS危险品标识: GHS05; GHS06; GHS07; GHS08
• GHS警示词: Danger
• GHS危险声明: H302-H314; H331-H302-H312-H314-H318-H373-H227
• GHS警示性声明: P210-P260-P303+P361+P353-P305+P351+P338-P405-P501A; P280-P305 + P351 + P338-P310
• 个人保护装置: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2941 6.1/PG 3

产品相关信息

• 纯度: ≥97.0% (GC); 98%; 99%; TECH
• 级别: technical
• 线性分子式: FC6H4NH2

详细说明

MP Biomedicals - 05215878

MP Biomedicals Rare Chemical collection

MP Biomedicals - 05222808

MP Biomedicals Rare Chemical collection

Apollo Scientific Ltd - PC3410

Intermediate for the production of Flumazenil.

Sigma Aldrich - F3800

包装
25, 100, 500 g in glass bottle

Toronto Research Chemicals - F587650

4-Fluoroaniline is a degradation product of Ezetimibe (E975000). 4-Fluoroaniline is used as an analytical reagent in the enzymic detection of glucose.

参考文献

• El-Moghazy, S.M. et al.: J. Chin. Chem. Soc., 56, 360 (2009)
• Gorski, L. et al.: Anal. Bional. Chem., 389, 533 (2009)