(methylsulfanyl)methane; dibromoborane

• ChemBase编号: 149114
• 分子式: C2H7BBr2S
• 平均质量: 233.76098
• 单一同位素质量: 231.87282562
• SMILES: B(Br)Br.CSC
• Canonical SMILES: CSC.BrBBr
• InChI: InChI=1S/C2H6S.BBr2H/c1-3-2;2-1-3/h1-2H3;1H
• InChIKey: PGSRDLGPKTVELT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (methylsulfanyl)methane; dibromoborane
• IUPAC传统名: dibromoborane; dimethyl sulfide
• 别名: 二溴硼烷甲硫醚络合物; 二溴甲基硫醚化硼络合物; 二溴硼烷二甲基硫醚络合物 溶液; Dibromoborane dimethyl sulfide complex; Dibromo(dimethyl sulfide)(hydro)boron; Dibromo(dimethyl sulfide)borane; Dibromoborane compound with dimethylsulfane; Dibromoborane dimethyl sulfide; Boron dibromide methyl sulfide complex; Dibromo(dimethyl sulfide)(hydro)boron solution; Dibromo(dimethyl sulfide)borane solution; Dibromoborane compound with dimethylsulfane solution; Dibromoborane dimethyl sulfide solution; Dibromoborane dimethyl sulfide complex solution

登记号

• CAS号: 55671-55-1
• MDL号: MFCD00011601
• Beilstein号: 4449985
• PubChem SID: 162243282; 24855855; 24860801; 24855287
• PubChem CID: 11020808

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 1.9442
• LogD (pH = 7.4): 1.9442
• Log P: 1.9442
• 摩尔折射率: 18.2704 cm^3
• 极化性: 8.760065 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

• 熔点: 30-35 °C(lit.)
• 闪点: 26 °C; 27 °C; 78.8 °F; 80.6 °F
• 密度: 1.415 g/mL at 25 °C

安全信息

• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C); 易燃性(Flammable) (F)
• 联合国危险货物编号: 2920; 3396
• 德国WGK号: 3
• 联合国危险货物等级: 4.3; 8
• 联合国危险货物包装类别(PG): 2
• 危险公开号: 10-14/15-34; 10-14/15-34-40
• 安全公开号: 16-26-36/37/39-45; 26-36/37/39-43-45
• GHS危险品标识: GHS02; GHS05; GHS08
• GHS警示词: Danger
• GHS危险声明: H226-H261-H314-H351; H228-H261-H314
• GHS警示性声明: P210-P231 + P232-P280-P305 + P351 + P338-P310-P422; P231 + P232-P280-P305 + P351 + P338-P310-P422
• 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; Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2920 8/PG 2; UN 3396 4.3/PG 2
• 欧盟补充危害声明: Reacts violently with water.

产品相关信息

• 浓度: ~1 M in methylene chloride; 1.0 M in methylene chloride
• 级别: technical
• 线性分子式: (CH3)2S · BHBr2

详细说明

Sigma Aldrich - 262056

包装
100, 800 mL in Sure/Seal™
Application
Reactant for:
• Reductive elimination C-C bond forming reactions1
• Lithiation-borylation reaction with Hoppe′s lithiated carbamates2
• Preparation of boron analogues of uracil3
• Boronation reactions for formation of cyclic boronium salts4
• Hydroboration reactions5
• Ring opening of terminal epoxides6

Sigma Aldrich - 255106

包装
100 g in Sure/Seal™
Application
Reactant for:
• Reductive elimination C-C bond forming reactions1
• Lithiation-borylation reaction with Hoppe′s lithiated carbamates2
• Preparation of boron analogues of uracil3
• Boronation reactions for formation of cyclic boronium salts4
• Hydroboration reactions5
• Ring opening of terminal epoxides6

Sigma Aldrich - 34035

Application
Reactant for:
• Reductive elimination C-C bond forming reactions1
• Lithiation-borylation reaction with Hoppe′s lithiated carbamates2
• Preparation of boron analogues of uracil3
• Boronation reactions for formation of cyclic boronium salts4
• Hydroboration reactions5
• Ring opening of terminal epoxides6