iodobromane

• ChemBase编号: 127832
• 分子式: BrI
• 平均质量: 206.80847
• 单一同位素质量: 205.82281
• SMILES: BrI
• Canonical SMILES: BrI
• InChI: InChI=1S/BrI/c1-2
• InChIKey: CBEQRNSPHCCXSH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: iodobromane
• IUPAC传统名: iodine monobromide
• 别名: 溴化碘; 一溴化碘; 一溴化碘 溶液; 单溴化碘; 溴化碘 溶液; 用于测定碘值的 Hanus 碘; 哈纳斯 溶液; Bromoiodine; Iodine monobromide; Iodine monobromide solution; Iodine bromide; Iodine monobromide; Iodine according to Hanus for the iodine value determination; Iodine bromide solution; Hanus solution

登记号

• CAS号: 7789-33-5
• EC号: 232-159-9
• MDL号: MFCD00011353
• Beilstein号: 3587194; 3902973
• 默克索引号: 145016
• PubChem SID: 24853459; 24861745; 162222150; 24857506
• PubChem CID: 82238
• Chemspider ID: 74216
• 维基百科标题: Iodine_monobromide

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 1.3709532
• LogD (pH = 7.4): 1.3709532
• Log P: 1.3709532
• 摩尔折射率: 22.076 cm^3
• 极化性: 9.510373 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

• 外观: dark red solid; Grey to black crystalline
• 熔点: 42°C; 42-50 °C(lit.); 50°C subl; 50°C subl.
• 沸点: 116°C; 116°C dec.
• 闪点: 104 °F; 40 °C; None
• 密度: 1.458 g/mL at 25 °C; 4.416; 4.416 g/mL at 25 °C(lit.)

安全信息

• 保存注意事项: Moisture & Light Sensitive
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C)
• 联合国危险货物编号: 2789; 3260; 3264; UN3260
• 德国WGK号: 2; 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: 10-35; 34; 34-40
• 安全公开号: 20-26-36/37/39-45-60; 26-36/37/39-45
• TSCA收录: 是
• GHS危险品标识: GHS02; GHS05; GHS08
• GHS警示词: Danger
• GHS危险声明: H226-H314; H314; H314-H318; H314-H351
• 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: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges; Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2789 8/PG 2; UN 3260 8/PG 2; UN 3264 8/PG 2
• 保存温度: 2-8°C

产品相关信息

• 纯度: 98%; 98% min
• 浓度: 0.1 M IBr; 1.0 M in methylene chloride
• 杂质: acetic acid
• 品质说明: volumetric
• 线性分子式: IBr
• Empirical Formula (Hill Notation): BrI

详细说明

Sigma Aldrich - 291021

包装
100 mL in Sure/Seal™

Sigma Aldrich - 224847

Application
一种合成聚酮结构单元的新方法中所用的亲电试剂。1
包装
50, 250 g in glass bottle

Sigma Aldrich - 35097

Caution
储存条件有限
General description
请访问 滴定中心 了解更多信息。

参考文献

• Selective brominating agent, considered to be intermediate in electrophilic power between bromine and iodine: J. Chem. Soc., 1509 (1939); J. Am. Chem. Soc., 60, 256 (1938); Chem. Commun., 849 (1968).
• Also found to give higher diastereoselectivity than iodine in the cyclization of certain homoallylic carbonates: Tetrahedron Lett., 33, 6439 (1992).
• Reagent for mild, selective deprotection of TBDMS ethers in carbohydrates and nucleosides: Synlett, 311 (1999).