palladium(2+) ion [3-(diphenylphosphanyl)propyl]diphenylphosphane bis(benzonitrile) bis(tetrafluoroboranuide)

• ChemBase编号: 141069
• 分子式: C41H36B2F8N2P2Pd
• 平均质量: 898.7146876
• 单一同位素质量: 898.14469498
• SMILES: [B-](F)(F)(F)F.[B-](F)(F)(F)F.c1ccc(cc1)C#N.c1ccc(cc1)C#N.c1ccc(cc1)P(CCCP(c1ccccc1)c1ccccc1)c1ccccc1.[Pd+2]
• Canonical SMILES: C(CP(c1ccccc1)c1ccccc1)CP(c1ccccc1)c1ccccc1.F[B-](F)(F)F.F[B-](F)(F)F.N#Cc1ccccc1.N#Cc1ccccc1.[Pd+2]
• InChI: InChI=1S/C27H26P2.2C7H5N.2BF4.Pd/c1-5-14-24(15-6-1)28(25-16-7-2-8-17-25)22-13-23-29(26-18-9-3-10-19-26)27-20-11-4-12-21-27;2*8-6-7-4-2-1-3-5-7;2*2-1(3,4)5;/h1-12,14-21H,13,22-23H2;2*1-5H;;;/q;;;2*-1;+2
• InChIKey: VCESXCUPOICDRS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: palladium(2+) ion [3-(diphenylphosphanyl)propyl]diphenylphosphane bis(benzonitrile) bis(tetrafluoroboranuide)
• IUPAC传统名: palladium(2+) ion [3-(diphenylphosphanyl)propyl]diphenylphosphane bis(benzonitrile) ditetrafluoroborate
• 别名: [1,3-双(二苯基膦)丙烷]-双(苄腈)-双-四氟硼酸钯(II); [Pd(dppp)(PhCN)2](BF4)2; Palladium(II)[1,3-bis(diphenylphosphino)propane]-bis(benzonitrile)-bis-tetrafluoroborate

登记号

• CAS号: 175079-12-6
• MDL号: MFCD10567055
• PubChem SID: 162235304
• PubChem CID: 9962865

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 7.1541
• LogD (pH = 7.4): 7.1541
• Log P: 7.1541
• 摩尔折射率: 126.3902 cm^3
• 极化性: 50.2117 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

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: 3261
• 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): 3
• 危险公开号: 34
• 安全公开号: 26-36/37/39-45
• GHS危险品标识: GHS05
• GHS警示词: Danger
• GHS危险声明: H314
• GHS警示性声明: P280-P305 + P351 + P338-P310
• 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
• RID/ADR: UN 3261 8/PG 3

产品相关信息

• Empirical Formula (Hill Notation): C41H36B2F8N2P2Pd

详细说明

Sigma Aldrich - 696617

Application
Diels-Alder 反应的钯催化剂。
Catalyst for:
• Synthesis of a photopatternable pentacene precursor1
• Diels-Alder reactions of dienes with aldehydes2
包装
250 mg in glass bottle