(9-benzyl-9H-fluoren-9-yl)dicyclohexylphosphanium; tetrafluoroboranuide

• ChemBase编号: 141310
• 分子式: C32H37BF4P
• 平均质量: 539.4145538
• 单一同位素质量: 539.26620609
• SMILES: [B-](F)(F)(F)F.c1ccc(cc1)CC1(c2ccccc2c2c1cccc2)[P+](C1CCCCC1)C1CCCCC1
• Canonical SMILES: C1CCC(CC1)[P+](C1(Cc2ccccc2)c2ccccc2c2c1cccc2)C1CCCCC1.F[B-](F)(F)F
• InChI: InChI=1S/C32H37P.BF4/c1-4-14-25(15-5-1)24-32(30-22-12-10-20-28(30)29-21-11-13-23-31(29)32)33(26-16-6-2-7-17-26)27-18-8-3-9-19-27;2-1(3,4)5/h1,4-5,10-15,20-23,26-27H,2-3,6-9,16-19,24H2;/q;-1/p+1
• InChIKey: TXCRCYKOFGNXQO-UHFFFAOYSA-O

名称和登记号

名称

• IUPAC标准名: (9-benzyl-9H-fluoren-9-yl)dicyclohexylphosphanium; tetrafluoroboranuide
• IUPAC传统名: (9-benzylfluoren-9-yl)dicyclohexylphosphanium tetrafluoroborate
• 别名: (9-苄基-9-芴基)二环己基膦四氟硼酸盐; 二环己基(9-苯甲基芴-9-基)四氟硼酸磷; Dicyclohexyl[9-(phenylmethyl)-9H-fluoren-9-yl]phosphine tetrafluoroborate; cataCXium® FBn; (9-Benzyl-9-fluorenyl)dicyclohexylphosphine tetrafluoroborate; (9-Benzyl-9-fluorenyl)dicyclohexylphosphonium tetrafluoroborate

登记号

• CAS号: 937378-18-2
• MDL号: MFCD10567010
• PubChem SID: 162235544
• PubChem CID: 57356036

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 8.009667
• LogD (pH = 7.4): 8.010488
• Log P: 8.522
• 摩尔折射率: 142.4519 cm^3
• 极化性: 57.679703 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 5
• 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: 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

• 纯度: 97%
• Empirical Formula (Hill Notation): C32H38BF4P

详细说明

Sigma Aldrich - 691100

General description
与 Solvias AG 联合销售
包装
1, 5 g in glass bottle
Application
Catalyst for Sonogashira, Suzuki, and Buchwald-Hartwig coupling reactions1
法律信息
cataCXium 注册商标 Evonik Degussa GmbH