chlorodicyclohexylborane

• ChemBase编号: 136834
• 分子式: C12H22BCl
• 平均质量: 212.56708
• 单一同位素质量: 212.15030878
• SMILES: B(C1CCCCC1)(C1CCCCC1)Cl
• Canonical SMILES: ClB(C1CCCCC1)C1CCCCC1
• InChI: InChI=1S/C12H22BCl/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2
• InChIKey: PBBOKJIYEZCTEH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: chlorodicyclohexylborane
• IUPAC传统名: chlorodicyclohexylborane
• 别名: 氯代二环己基硼烷 溶液; 氯化二环己基硼烷; 氯代二环己基硼烷; Chlorodicyclohexylborane solution; Dicyclohexylboryl chloride; Dicyclohexylchloroborane; Dicyclohexylboron chloride; Chlorodicyclohexylborane

登记号

• CAS号: 36140-19-9
• MDL号: MFCD00191906
• Beilstein号: 3233942
• PubChem SID: 24865357; 162231102; 24865728
• PubChem CID: 4413142

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 5.2945
• LogD (pH = 7.4): 5.2945
• Log P: 5.2945
• 摩尔折射率: 58.9977 cm^3
• 极化性: 25.186771 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: false

分子性质

理化性质

• 沸点: 100-101 °C/1 mmHg(lit.); 68-69 °C
• 闪点: 10.4 °F; -12 °C
• 密度: 0.752 g/mL at 25 °C; 0.97 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); 环境危害性(Nature polluting) (N)
• 联合国危险货物编号: 2845; 2924
• 德国WGK号: 3
• 联合国危险货物等级: 3; 4.2
• 联合国危险货物包装类别(PG): 1; 2
• 危险公开号: 11-17-34-48/20-51/53-62-65-67; 17-34
• 安全公开号: 16-23-26-36/37/39-45; 16-26-36/37/39-45-61-62
• GHS危险品标识: GHS02; GHS05; GHS07; GHS08; GHS09
• GHS警示词: Danger
• GHS危险声明: H225-H250-H304-H314-H336-H361f-H373-H411; H225-H250-H314
• GHS警示性声明: P210-P222-P231-P261-P273-P422; P210-P222-P231-P280-P305 + P351 + P338-P422
• 个人保护装置: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2845 4.2/PG 1; UN 2924 3/PG 2

产品相关信息

• 纯度: 98%
• 浓度: 1 M in hexanes
• 线性分子式: (C6H11)2BCl

详细说明

Sigma Aldrich - 411124

包装
50, 100 mL in Sure/Seal™
Application
Reactant for:
• Aldol addition reactions1
• Mukaiyama aldol addition2
• Microwave assisted ring closing metathesis reactions3
• C-alkylation of aromatic aldimines4
• Reversible ketone-ketone aldol reactions5
• Syn- and anti-stereoselective aldol reaction hexenone with aldehydes6

Sigma Aldrich - 406139

包装
25 mL in Sure/Seal™
Application
Reactant for:
• Aldol addition reactions
• Mukaiyama aldol addition
• Microwave assisted ring closing metathesis reactions
• C-alkylation of aromatic aldimines
• Reversible ketone-ketone aldol reactions
• Syn- and anti-stereoselective aldol reaction hexenone with aldehydes
用于酮类和其他羰基衍生物的区域选择性和立体选择性烯醇硼化反应的简便试剂。1