bis(di-tert-butyl[4-(trifluoromethyl)phenyl]phosphane); dichloropalladium

• ChemBase编号: 141478
• 分子式: C30H44Cl2F6P2Pd
• 平均质量: 757.9343012
• 单一同位素质量: 756.12343535
• SMILES: CC(C)(C)P(c1ccc(cc1)C(F)(F)F)C(C)(C)C.CC(C)(C)P(c1ccc(cc1)C(F)(F)F)C(C)(C)C.Cl[Pd]Cl
• Canonical SMILES: CC(P(C(C)(C)C)c1ccc(cc1)C(F)(F)F)(C)C.CC(P(C(C)(C)C)c1ccc(cc1)C(F)(F)F)(C)C.Cl[Pd]Cl
• InChI: InChI=1S/2C15H22F3P.2ClH.Pd/c2*1-13(2,3)19(14(4,5)6)12-9-7-11(8-10-12)15(16,17)18;;;/h2*7-10H,1-6H3;2*1H;/q;;;;+2/p-2
• InChIKey: ATVRGWRBZLLSJD-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: bis(di-tert-butyl[4-(trifluoromethyl)phenyl]phosphane); dichloropalladium
• IUPAC传统名: bis(di-tert-butyl[4-(trifluoromethyl)phenyl]phosphane); palladium chloride
• 别名: 双[二-(叔丁基)(4-三氟甲苯基)膦]氯化钯(II); Bis[di-(tert-butyl)(4-trifluoromethylphenyl)phosphine]palladium(II) chloride

登记号

• CAS号: 887919-36-0
• MDL号: MFCD11045389
• PubChem SID: 162235712
• PubChem CID: 71310639

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 3.9150774
• LogD (pH = 7.4): 4.2532434
• Log P: 4.2936
• 摩尔折射率: 75.6526 cm^3
• 极化性: 28.739223 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 230 °C (D)

安全信息

• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 26
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• Empirical Formula (Hill Notation): C30H44Cl2F6P2Pd

详细说明

Sigma Aldrich - 692921

Application
Catalyst for Suzuki Coupling reaction of heteroaryl chlorides
包装
1 g in glass bottle
250 mg in glass bottle
Protocols & Applications
Efficient Suzuki Coupling with A-Phos Complexes