2-bromo-2-methylpropanoyl bromide

• ChemBase编号: 146413
• 分子式: C4H6Br2O
• 平均质量: 229.89784
• 单一同位素质量: 227.87853881
• SMILES: CC(C)(C(=O)Br)Br
• Canonical SMILES: BrC(=O)C(Br)(C)C
• InChI: InChI=1S/C4H6Br2O/c1-4(2,6)3(5)7/h1-2H3
• InChIKey: YOCIJWAHRAJQFT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-bromo-2-methylpropanoyl bromide
• IUPAC传统名: 2-bromo-2-methylpropanoyl bromide
• 别名: 2-溴-2-甲基丙酰溴; α-溴异丁酰溴; 2-溴-2-甲基丙酰溴; BIBB; 2-Bromo-2-methylpropionyl bromide; α-Bromoisobutyryl bromide; 2-Bromoisobutyryl bromide

登记号

• CAS号: 20769-85-1
• EC号: 244-017-3
• MDL号: MFCD00000122
• Beilstein号: 1746128
• PubChem SID: 162240610; 24850483; 24855196
• PubChem CID: 88685

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 2.1844058
• LogD (pH = 7.4): 2.1844058
• Log P: 2.1844058
• 摩尔折射率: 36.045 cm^3
• 极化性: 14.220291 Å^3
• 极化表面积: 17.07 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: 160-162°C; 162-164 °C(lit.)
• 闪点: >110°C(230°F); 113 °C; 235.4 °F
• 密度: 1.86 g/mL at 20 °C; 1.86 g/mL at 25 °C(lit.); 1.860
• 折射率: 1.5095; n20/D 1.507; n20/D 1.507(lit.)

安全信息

• 保存注意事项: Moisture Sensitive
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C)
• 联合国危险货物编号: 3265; UN3265
• 德国WGK号: 3
• 联合国危险货物等级: 8
• 联合国危险货物包装类别(PG): 2; II
• 危险公开号: 14-34; 22-34
• 安全公开号: 26-36/37/39-45
• TSCA收录: 是
• GHS危险品标识: GHS05; GHS07
• GHS警示词: Danger
• GHS危险声明: H302-H314; H314-H318
• GHS警示性声明: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P280-P305 + P351 + P338-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 3265 8/PG 2

产品相关信息

• 纯度: ≥97.0% (GC); 97%; 98%
• 级别: technical
• 线性分子式: (CH3)2CBrCOBr

详细说明

Sigma Aldrich - 252271

Application
Used to form an N-protected halodienamide which provided four- and five-membered lactams in the presence of copper(I) and a tertiary amine.1Atom Transfer Radical Polymerization (ATRP) initiator commonly used to functionalize alcohols or oxidized surfaces.
包装
100, 500 g in glass bottle