(bromomethyl)cyclopropane

• ChemBase编号: 9958
• 分子式: C4H7Br
• 平均质量: 135.00238
• 单一同位素质量: 133.97311222
• SMILES: C1(CC1)CBr
• Canonical SMILES: BrCC1CC1
• InChI: InChI=1S/C4H7Br/c5-3-4-1-2-4/h4H,1-3H2
• InChIKey: AEILLAXRDHDKDY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (bromomethyl)cyclopropane
• IUPAC传统名: (bromomethyl)cyclopropane
• 别名: 环丙基甲基溴; (溴甲基)环丙烷; 溴甲基环丙烷; Cyclopropylmethyl bromide; (Bromomethyl)cyclopropane; (Bromomethyl)cyclopropane; 1-(Bromomethyl)cyclopropane; Cyclopropanemethyl Bromide; Cyclopropylcarbinyl Bromide; Cyclopropylmethyl bromide; (Bromomethyl)cyclopropane; 1-(bromomethyl)cyclopropane

登记号

• CAS号: 7051-34-5
• EC号: 230-331-8
• MDL号: MFCD00001306
• Beilstein号: 605296
• PubChem SID: 160973265; 24854557
• PubChem CID: 81503

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 1.8020873
• LogD (pH = 7.4): 1.8020873
• Log P: 1.8020873
• 摩尔折射率: 26.2378 cm^3
• 极化性: 10.167112 Å^3
• 极化表面积: 0.0 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

• 溶解度: Chloroform; Methanol
• 外观: Clear Colorless Liquid
• 沸点: 101-112°C; 105-107 °C(lit.); 105-107°C; 111-112°C
• 闪点: 105.8 °F; 41 °C; 41°C; 41°C(105°F)
• 密度: 1.392; 1.392 g/mL at 25 °C(lit.); 1.410
• 折射率: 1.4570; 1.4770; n20/D 1.457(lit.)
• 疏水性(logP): 2.049

安全信息

• 保存条件: Hygroscopic, -20°C Freezer, Under Inert Atmosphere
• 保存注意事项: Flammable/Harmful/Irritant/Light Sensitive/Keep Cold; IRRITANT, KEEP COLD, FLAMMABLE
• 欧盟危险性物质标志: X
• 联合国危险货物编号: 1993; UN1993
• 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): 3; III
• 危险公开号: 10; 10-22-36/37/38
• 安全公开号: 23-24/25; 23-26-36/37-60
• TSCA收录: false; 否
• GHS危险品标识: GHS02; GHS06
• GHS警示词: Warning
• GHS危险声明: H226; H301-H315-H319-H335-H226
• GHS警示性声明: P210-P301+P310-P303+P361+P353-P305+P351+P338-P405-P501A
• 个人保护装置: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 3

产品相关信息

• 纯度: 95%; 96%; 97%
• 线性分子式: C3H5CH2Br

详细说明

Sigma Aldrich - 242403

Application
用于引入环丙基甲基的合成结构单元。1,2,3
用于通过与烯基格氏试剂的铁催化交叉偶联反应合成 1,4-二烯。
包装
1, 5 g in ampule

参考文献

• O-Alkylation of phenols (KO-t-Bu/DMF) has been used as a means of protection. The cyclopropylmethyl ethers are stable to reducing agents (metal hydride, H₂, Birch), but selectively cleaved by aqueous methanolic HCl: Chem. Pharm. Bull., 23, 2878 (1975).