3-bromoprop-1-ene

• ChemBase编号: 77999
• 分子式: C3H5Br
• 平均质量: 120.9758
• 单一同位素质量: 119.95746216
• SMILES: BrCC=C
• Canonical SMILES: BrCC=C
• InChI: InChI=1S/C3H5Br/c1-2-3-4/h2H,1,3H2
• InChIKey: BHELZAPQIKSEDF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-bromoprop-1-ene
• IUPAC传统名: allyl bromide
• 别名: 3-溴-1-丙烯; 烯丙基溴; Allyl bromide; 3-Bromopropene; 3-Bromopropylene; 3-Bromo-1-propene; Bromoallylene; 2-Propenyl bromide; UN 1099; Allyl bromide; Allyl bromide; 3-Bromoprop-1-ene 99%

登记号

• CAS号: 106-95-6
• EC号: 203-446-6
• MDL号: MFCD00000244
• Beilstein号: 605308
• 默克索引号: 14288
• PubChem SID: 24860486; 24845882; 24845881; 162042835; 24890713
• PubChem CID: 7841
• Chemspider ID: 7553
• 维基百科标题: Allyl_bromide

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 1.7527598
• LogD (pH = 7.4): 1.7527598
• Log P: 1.7527598
• 摩尔折射率: 23.4585 cm^3
• 极化性: 8.805095 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: Very slightly soluble in water
• 外观: Clear to light yellow liquid
• 熔点: -119 °C; -119 °C(lit.); -119°C
• 沸点: 70-71 °C(lit.); 70-71°C; 71 °C
• 闪点: -1 °C; -2 - -1 °C; -2°C(28°F); 30.2 °F
• 自燃点: 280 °C; 554 °F
• 密度: 1.398; 1.398 g/cm^3; 1.398 g/mL at 25 °C(lit.)
• 折射率: 1.4700; n20/D 1.469; n20/D 1.469(lit.)
• 蒸汽密度: 4.2 (vs air)

安全信息

• 保存注意事项: Highly Flammable/Corrosive/Toxic/Moisture Sensitive/Light Sensitive/Keep Cold; Light Sensitive
• RTECS编号: UC7090000
• 欧盟危险性物质标志: 易燃性(Flammable) (F); 环境危害性(Nature polluting) (N); 有毒(Toxic) (T)
• 联合国危险货物编号: 1099; UN1099
• 德国WGK号: 2; 3
• 联合国危险货物等级: 3
• 联合国危险货物包装类别(PG): 1; I
• 危险公开号: 11-25-34-50; 45-46-11-23/25-34-50; 45-46-11-25-34-50; R11, R25
• 安全公开号: 16-26-36/37/39-45-60-61; 16-26-36/37/39-45-61; 53-16-26-36/37/39-45-61; S16, S28A, S29, S33, S36/37, S39, S45
• TSCA收录: 是
• GHS危险品标识: GHS02; GHS05; GHS06; GHS08; GHS09
• GHS警示词: Danger
• NFPA704:
  

  3

  3

  1
• 爆炸极限: 4.3 - 7.3 %; 7.3 %
• GHS危险声明: H225-H301-H314-H340-H350-H400; H225-H301-H314-H400; H225-H301-H330-H340-H350-H314-H318-H400
• GHS警示性声明: P201-P210-P273-P280-P301 + P310-P305 + P351 + P338; P210-P273-P280-P301 + P310-P305 + P351 + P338-P310; P210-P280-P305+P351+P338-P309-P310
• 个人保护装置: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1099 3/PG 1
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥98.0% (GC); ≥99.0% (GC); 97%; 99%; 99%, stab. with 300-1000ppm Propylene oxide
• 级别: puriss.; purum; reagent grade; ReagentPlus®
• 其他组分: ≤1000 ppm propylene oxide as stabilizer; silver wool as stabilizer; silverwool as stabilizer
• 线性分子式: CH2=CHCH2Br

详细说明

Sigma Aldrich - 337528

包装
1 L in glass bottle
250 mL in glass bottle

Sigma Aldrich - A29585

包装
1, 3 kg in glass bottle
5, 100, 500 g in glass bottle
法律信息
ReagentPlus 注册商标 Sigma-Aldrich Co. LLC