chloro(dimethyl-λ4-sulfanylidene)borane

• ChemBase编号: 147087
• 分子式: C2H7BClS
• 平均质量: 109.40598
• 单一同位素质量: 109.0050043
• SMILES: [BH-]([S+](C)C)Cl
• Canonical SMILES: Cl[BH-][S+](C)C
• InChI: InChI=1S/C2H8BClS/c1-5(2)3-4/h3H2,1-2H3
• InChIKey: CUKLQTNDSCOWTI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: chloro(dimethyl-λ^4-sulfanylidene)borane
• IUPAC传统名: chloro(dimethyl-λ^4-sulfanylidene)borane
• 别名: 硫化氯硼烷甲基络合物; 单氯硼烷二甲基硫醚络合物; Chloro(dimethyl sulfide)dihydroboron; Monochloroborane-dimethyl sulfide; monoChloroborane methyl sulfide complex; Boron monochloride methyl sulfide complex; Chloroborane methyl sulfide complex

登记号

• CAS号: 63348-81-2
• MDL号: MFCD00013210
• PubChem SID: 162241278; 24857987
• PubChem CID: 57099335

理论计算性质

• LogD (pH = 7.4): -1.0525022
• Log P: -1.0525022
• 摩尔折射率: 26.5568 cm^3
• 极化性: 11.95678 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
• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): -1.0525022

分子性质

理化性质

• 闪点: 24 °C; 75.2 °F
• 密度: 1.059 g/mL at 25 °C(lit.)

安全信息

• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C)
• 联合国危险货物编号: 2920
• 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
• 危险公开号: 10-14-34
• 安全公开号: 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: H226-H314
• GHS警示性声明: 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 2920 8/PG 2
• 欧盟补充危害声明: Reacts violently with water.

产品相关信息

• 线性分子式: (CH3)2S·BH2Cl

详细说明

Sigma Aldrich - 298441

包装
50 g in Sure/Seal™
Application
Reactant for:
• Substitution reactions1
• Boronation reactions2
• Preparation of diborylamines3
• Preparation of unsymmetrical borafluorenes via low-temperature carbon-hydrogen activation reactions4
• Asymmetrical aldol reactions with a-chiral aldehydes5
• Addition reaction with α-pinene6
用于硼氢化反应和合成氯二烷基硼烷的试剂。