1-fluoronaphthalene

• ChemBase编号: 7788
• 分子式: C10H7F
• 平均质量: 146.1609832
• 单一同位素质量: 146.05317844
• SMILES: Fc1c2c(ccc1)cccc2
• Canonical SMILES: Fc1cccc2c1cccc2
• InChI: InChI=1S/C10H7F/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
• InChIKey: CWLKTJOTWITYSI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-fluoronaphthalene
• IUPAC传统名: 1-fluoronaphthalene
• 别名: 1-氟萘; 1-Fluoronaphthalene; NSC 4690; α-Fluoronaphthalene; Duloxetine USP Impurity G; 1-Fluoronaphthalene; 1-Fluoronaphthalene 99%

登记号

• CAS号: 321-38-0
• EC号: 206-287-0
• MDL号: MFCD00003873
• Beilstein号: 1906413
• PubChem SID: 160971095; 24867766; 24851780
• PubChem CID: 9450

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 3.1054244
• LogD (pH = 7.4): 3.1054244
• Log P: 3.1054244
• 摩尔折射率: 42.7246 cm^3
• 极化性: 17.529308 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

• 溶解度: Chloroform; Ethyl Acetate
• 外观: Clear Yellow Oil
• 熔点: -10°C; -13 °C(lit.); -13°C; -9°C
• 沸点: 215 °C(lit.); 215°C; 215-217°C; 215-217°C
• 闪点: 149 °F; 65 °C; 65°C; 65°C(149°F)
• 密度: 1.13 g/ml; 1.1322 g/mL at 20 °C(lit.); 1.331; 1.332
• 折射率: 1.593; 1.5930; n20/D 1.593; n20/D 1.593(lit.)

安全信息

• 保存条件: Refrigerator; Room Temperature (15-30°C)
• 保存注意事项: IRRITANT; Irritant
• RTECS编号: QJ7100000
• 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
• 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: ≥99.0% (GC); 98%; 99%
• 级别: analytical standard; puriss.
• 包装: ampule of 1000 mg
• Empirical Formula (Hill Notation): C10H7F

详细说明

MP Biomedicals - 02158119

1 ml = approx. 1.13 g

MP Biomedicals - 05205901

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 196657

包装
5, 25 g in glass bottle

Toronto Research Chemicals - F593760

A fluorinated naphthalene derivative that is metabolized by fungal monooxygenase-epoxide hydrolase. Duloxetine (D721000) impurity.

参考文献

• Cerniglia, C.E. et al.: Appl. Env. Microbiol., 48, 294 (1984)