(methylsulfanyl)methane; bromoborane

• ChemBase编号: 138499
• 分子式: C2H8BBrS
• 平均质量: 154.86492
• 单一同位素质量: 153.96231366
• SMILES: BBr.CSC
• Canonical SMILES: CSC.BrB
• InChI: InChI=1S/C2H6S.BBrH2/c1-3-2;1-2/h1-2H3;1H2
• InChIKey: AQRNIOMHNXJPFD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (methylsulfanyl)methane; bromoborane
• IUPAC传统名: bromoborane; dimethyl sulfide
• 别名: 单溴硼烷甲硫醚络合物 溶液; 单溴化硼甲基硫醚络合物; 溴硼烷甲基硫醚络合物; 单溴硼烷甲硫醚络合物; Bromo(dimethyl sulfide)borane; Bromo(dimethyl sulfide)dihydroboron; mono-Bromoborane methyl sulfide complex solution; Boron monobromide methyl sulfide complex; Bromoborane methyl sulfide complex; mono-Bromoborane methyl sulfide complex

登记号

• CAS号: 55652-52-3
• MDL号: MFCD00011602
• PubChem SID: 162232754; 24855856; 24855285
• PubChem CID: 16043495

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 1.2235795
• LogD (pH = 7.4): 1.2235795
• Log P: 1.2235795
• 摩尔折射率: 18.8917 cm^3
• 极化性: 7.4785047 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

• 闪点: 10 °C; 50 °F
• 密度: 1.347 g/mL at 25 °C; 1.452 g/mL at 25 °C(lit.)

安全信息

• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C); 易燃性(Flammable) (F); 有毒(Toxic) (T)
• 联合国危险货物编号: 2924; 3399
• 德国WGK号: 3
• 联合国危险货物等级: 3; 4.3
• 联合国危险货物包装类别(PG): 1; 2
• 危险公开号: 11-14/15-34; 11-15-23/24/25-34-40
• 安全公开号: 16-23.2-26-36/37/39-45; 16-26-27-36/37/39-45
• GHS危险品标识: GHS02; GHS05
• GHS警示词: Danger
• GHS危险声明: H225-H260-H314
• GHS警示性声明: P210-P223-P231 + P232-P280-P370 + P378-P422
• 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 2924 3/PG 2; UN 3399 4.3/PG 1
• 欧盟补充危害声明: Reacts violently with water.

产品相关信息

• 浓度: 1.0 M in methylene chloride
• 线性分子式: (CH3)2S·BH2Br

详细说明

Sigma Aldrich - 255092

Application
硼氢化反应和合成溴二烷基硼烷的试剂。

Sigma Aldrich - 262064

包装
100 mL in Sure/Seal™
Application
Reactant for:
• Substitution reactions for synthesis of N-heterocyclic carbene boranes with boron-heteroatom bonds1
• Hydroboration reactions2
• Regio- and chemoselective brominative cleavage of terminal epoxides3