bromocyclopropane

• ChemBase编号: 9938
• 分子式: C3H5Br
• 平均质量: 120.9758
• 单一同位素质量: 119.95746216
• SMILES: C1CC1Br
• Canonical SMILES: BrC1CC1
• InChI: InChI=1S/C3H5Br/c4-3-1-2-3/h3H,1-2H2
• InChIKey: LKXYJYDRLBPHRS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: bromocyclopropane
• IUPAC传统名: bromocyclopropane
• 别名: 环丙基溴; 溴代环丙烷; Cyclopropyl bromide; bromocyclopropane; Cyclopropyl bromide; Bromocyclopropane; NSC 89692; Bromocyclopropane; Cyclopropyl bromide 99+%

登记号

• CAS号: 4333-56-6
• EC号: 224-375-7
• MDL号: MFCD00001271
• Beilstein号: 1900287
• PubChem SID: 160973245; 24892372; 24850241
• PubChem CID: 78037

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 1.4870746
• LogD (pH = 7.4): 1.4870746
• Log P: 1.4870746
• 摩尔折射率: 21.507 cm^3
• 极化性: 8.392043 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

• 沸点: 68-70°C; 69 °C(lit.); 69°C
• 闪点: 21.2 °F; -6 °C; -6°C; -6°C(21°F)
• 密度: 1.51 g/mL at 25 °C(lit.); 1.510; 1.515
• 折射率: 1.4580; 1.4600; n20/D 1.458(lit.); n20/D 1.460

安全信息

• 保存注意事项: Highly Flammable/Irritant/Lachrymatory/Keep Cold; LACHRYMATOR, FLAMMABLE
• 欧盟危险性物质标志: 易燃性(Flammable) (F); 刺激性(Irritant) (Xi)
• 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): 2; II
• 危险公开号: 11-36/37/38
• 安全公开号: 16-26-29-33-37; 16-26-36
• TSCA收录: true; 是
• GHS危险品标识: GHS02; GHS07
• GHS警示词: Danger
• GHS危险声明: H225-H315-H319-H335
• GHS警示性声明: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P210-P261-P305 + P351 + P338
• 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 2
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥98.0% (GC); 95+%; 97%; 99%
• 级别: purum
• Empirical Formula (Hill Notation): C3H5Br

详细说明

Sigma Aldrich - C117307

包装
5, 25 g in glass bottle

参考文献

• The Grignard reagent functions as an allyl anion equivalent in the reaction with thioacetals catalyzed by Dichlorobis(triphenylphosphine)nickel(II), 13930: J. Am. Chem. Soc., 111, 9119 (1989):
  
• The lithio-derivative reacts with Bis(cyclopentadienyl)titanium dichloride, A11456, to give bis(cyclopropyl)titanocene, which reacts with carbonyl compounds to give alkylidenecyclopropane derivatives: Tetrahedron Lett., 34, 943 (1993). Similarly, esters and lactones give enol ethers and acetylenes give vinylcyclopropanes.