2,3-dibromoprop-1-ene

• ChemBase编号: 107813
• 分子式: C3H4Br2
• 平均质量: 199.87186
• 单一同位素质量: 197.86797413
• SMILES: BrCC(=C)Br
• Canonical SMILES: BrCC(=C)Br
• InChI: InChI=1S/C3H4Br2/c1-3(5)2-4/h1-2H2
• InChIKey: YMFWYDYJHRGGPF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,3-dibromoprop-1-ene
• IUPAC传统名: 2,3-dibromo-1-propene
• 别名: 2,3-二溴丙烯; 2,3-二溴-1-丙烯; 2,3-DIBROMO-1-PROPENE; 2,3-Dibromopropene; 2,3-Dibromo-1-propene

登记号

• CAS号: 513-31-5
• EC号: 208-155-8
• MDL号: MFCD00000211
• Beilstein号: 878169
• 默克索引号: 143025
• PubChem SID: 24861087; 24846718; 162093713; 24861090
• PubChem CID: 10552

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 2.1542308
• LogD (pH = 7.4): 2.1542308
• Log P: 2.1542308
• 摩尔折射率: 30.9927 cm^3
• 极化性: 11.943496 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

• 沸点: 141°C; 42-44 °C/17 mmHg(lit.)
• 闪点: 177.8 °F; 81 °C; 81°C(177°F)
• 密度: 2.045 g/mL at 25 °C; 2.046
• 折射率: 1.5450; n20/D 1.544(lit.)

安全信息

• 保存注意事项: Moisture Sensitive
• RTECS编号: UC8200000
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi); 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 20/22-41; 37/38-41-68
• 安全公开号: 26-36/37/39; 26-39
• TSCA收录: 是
• GHS危险品标识: GHS05; GHS07; GHS08
• GHS警示词: Danger
• GHS危险声明: H302-H318-H332; H318-H315-H341-H335-H227
• GHS警示性声明: P210-P305+P351+P338-P302+P352-P321-P405-P501A; P280-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

产品相关信息

• 纯度: ≥85% (GC); ≥95.0%; 80%; tech. 85%, stab. with copper
• 级别: technical; technical grade
• 其他组分: hydroquinone as stabilizer
• 线性分子式: CH2BrCBr=CH2

详细说明

MP Biomedicals - 05205102

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 106003

包装
25, 100 g in glass bottle

Sigma Aldrich - 34293

Caution
储存期间可变为棕色

参考文献

• Couples with Grignards to give 2-bromo-1-alkenes, intermediates in the synthesis of terminal alkynes by dehydrobromination: Org. Synth. Coll., 1, 186, 191 (1941). Coupling of the vinylic bromide with a second organomagnesium molecule, mediated by a Ni complex, allows the introduction of two different substituents: Synthesis, 1034 (1987):
  
• Reacts with hexamethylenetetramine to give 2-bromoallylamine, and with primary amines, e.g. ethylamine, to give N-ethyl-2-bromoallylamines: Org. Synth. Coll., 5, 121, 124 (1973).