1-fluoro-2-nitrobenzene

• ChemBase编号: 97072
• 分子式: C6H4FNO2
• 平均质量: 141.0998632
• 单一同位素质量: 141.02260659
• SMILES: [N+](=O)(c1c(cccc1)F)[O-]
• Canonical SMILES: [O-][N+](=O)c1ccccc1F
• InChI: InChI=1S/C6H4FNO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H
• InChIKey: PWKNBLFSJAVFAB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-fluoro-2-nitrobenzene
• IUPAC传统名: O-fluoronitrobenzene
• 别名: 1-氟-2-硝基苯; 2-Fluoronitrobenzene; 1-Fluoro-2-nitrobenzene; 2-Fluoronitrobenzene 98%; 1-Fluoro-2-nitrobenzene; o-FLUORONITROBENZENE; 2-Fluoronitrobenzene; 2-Nitrofluorobenzene

登记号

• CAS号: 1493-27-2
• EC号: 216-088-0
• MDL号: MFCD00007048
• Beilstein号: 607262
• PubChem SID: 162083696; 24894745
• PubChem CID: 73895

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 2.055932
• LogD (pH = 7.4): 2.055932
• Log P: 2.055932
• 摩尔折射率: 32.5949 cm^3
• 极化性: 11.98692 Å^3
• 极化表面积: 43.14 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

• 外观: deep greenish-yellow
• 熔点: -6°C; -8°C; -9--6 °C(lit.)
• 沸点: 116 °C/22 mmHg(lit.); 116°C/22mm; 215°C
• 闪点: 201.2 °F; 94 °C; 94°C; 94°C(201°F)
• 密度: 1.338; 1.338 g/mL at 25 °C(lit.); 1.340
• 折射率: 1.5317; n20/D 1.532; n20/D 1.532(lit.)

安全信息

• 保存注意事项: Toxic/Irritant
• 欧盟危险性物质标志: 有毒(Toxic) (T); 刺激性(Irritant) (Xi)
• 联合国危险货物编号: UN2810
• 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): III
• 危险公开号: 23/24/25-33-36/38; 36/37/38
• 安全公开号: 26-36; 4-9-20-23-26-27-36/37/39-45
• TSCA收录: 是
• GHS危险品标识: GHS06; GHS07; GHS08
• GHS警示词: Warning
• GHS危险声明: H301-H311-H331-H315-H319-H373; H315-H319-H335
• GHS警示性声明: P260-P301+P310-P305+P351+P338-P361-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: ≥98.0% (GC); 95+%; 99%
• 级别: purum
• 线性分子式: FC6H4NO2

详细说明

MP Biomedicals - 05205902

MP Biomedicals Rare Chemical collection

Apollo Scientific Ltd - PC3890

The activated fluorine reacts with arylamines to form 2-nitrodiarylamines see: Synthesis, 215 (1980)

Sigma Aldrich - F10801

包装
50, 250 g in glass bottle

参考文献

• The activating effect of aryl halides by o- or p-nitro groups is most pronounced for aryl fluorides, e.g. reacts readily with arylamines in a convenient synthesis of 2-nitrodiarylamines: Synthesis, 215 (1980).