bromo[4-(trifluoromethoxy)phenyl]magnesium

• ChemBase编号: 141591
• 分子式: C7H4BrF3MgO
• 平均质量: 265.3102696
• 单一同位素质量: 263.92480311
• SMILES: c1cc(ccc1OC(F)(F)F)[Mg]Br
• Canonical SMILES: Br[Mg]c1ccc(cc1)OC(F)(F)F
• InChI: InChI=1S/C7H4F3O.BrH.Mg/c8-7(9,10)11-6-4-2-1-3-5-6;;/h2-5H;1H;/q;;+1/p-1
• InChIKey: UFMHNMPAQCQXMW-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: bromo[4-(trifluoromethoxy)phenyl]magnesium
• IUPAC传统名: bromo[4-(trifluoromethoxy)phenyl]magnesium
• 别名: 4-(三氟甲氧基)苯基溴化镁; 4-(Trifluoromethoxy)phenylmagnesium bromide solution

登记号

• MDL号: MFCD09842767
• PubChem SID: 162235825
• PubChem CID: 13504095

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 3.4698
• LogD (pH = 7.4): 3.4698
• Log P: 3.4698
• 摩尔折射率: 37.2798 cm^3
• 极化性: 17.34754 Å^3
• 极化表面积: 9.23 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 闪点: -22 - -4 °F; -30 - -20 °C
• 密度: 0.975 g/mL at 25 °C

安全信息

• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C); 易燃性(Flammable) (F)
• 联合国危险货物编号: 2924
• 德国WGK号: 3
• 联合国危险货物等级: 3
• 联合国危险货物包装类别(PG): 2
• 危险公开号: 11-14-19-34-37
• 安全公开号: 16-26-36/37/39-45
• GHS危险品标识: GHS02; GHS05; GHS07
• GHS警示词: Danger
• GHS危险声明: H225-H314-H335
• GHS警示性声明: P210-P261-P280-P305 + P351 + P338-P310
• RID/ADR: UN 2924 3/PG 2
• 欧盟补充危害声明: May form explosive peroxides., Reacts violently with water.

产品相关信息

• 浓度: 0.5 M in THF
• Empirical Formula (Hill Notation): C7H4BrF3MgO

详细说明

Sigma Aldrich - 687901

包装
50 mL in Sure/Seal™
Application
Reactant for:
• Preparation of chromanol derivatives as novel class of CETP inhibitors for treatment of cardiovascular disease1
• Pd-catalyzed cross coupling2
• Preparation of indazole-pyridine derivatives as protein kinase B/Akt inhibitors with reduced hypotension, via Stille coupling, Mitsunobu reaction and copper-catalyzed aziridine ring-opening reaction3