Tris(pentafluorophenyl)borane - ≥97% , CAS No.1109-15-5

CAS: 1109-15-5 Cat. No.: T109495 분자식: C₁₈BF₁₅ 분자량: 511.98 Beilstein Registry Number: 2931347 EC 번호: 414-000-7 PubChem CID: 582056

GRADE & PURITY ≥97%

Synonyms

tris(pentafluorophenyl)-borane | Tris(perfluorophenyl)borane | Perfluorotriphenylboron | Tris(2,3,4,5,6-pentafluorophenyl)borane

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

개요

B(C6F5)3 is a Lewis acid, stronger than the inorganic parent molecule BF3. In contrast to the prominent Lewis acids, the pentafluorides of the heavier elements of group 15, B(C6F5)3 has no oxidizing properties. B(C6F5)3 forms adducts with neutral and weaker Lewis bases. B(C6F5)3 has the capability to easily accept anionic ligands bonded to metals.

Application：

A versatile reagent widely used in the preparation of d0 arene and other organometallic complexes useful as polymerization catalysts. 

Used with tri-tert-butylphosphine (570958) to study the heterolytic cleavage of dihydrogen at room temperature and one atmosphere pressure.

Specifications

동의어

tris(pentafluorophenyl)-borane | Tris(perfluorophenyl)borane | Perfluorotriphenylboron | Tris(2,3,4,5,6-pentafluorophenyl)borane

사양 및 순도

≥97%

보관 조건

Store at -20°C,Argon charged

배송

Ice chest + Ice pads

이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.

순수함

≥97%

이름과 식별자

• Pubchem Sid: 508811406
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/508811406
• 정식 스마일: B(C1=C(C(=C(C(=C1F)F)F)F)F)(C2=C(C(=C(C(=C2F)F)F)F)F)C3=C(C(=C(C(=C3F)F)F)F)F
• IUPAC Name: tris(2,3,4,5,6-pentafluorophenyl)borane
• InChIKey: OBAJXDYVZBHCGT-UHFFFAOYSA-N
• INCHI: 1S/C18BF15/c20-4-1(5(21)11(27)16(32)10(4)26)19(2-6(22)12(28)17(33)13(29)7(2)23)3-8(24)14(30)18(34)15(31)9(3)25
• 이성체 SMILES: B(C1=C(C(=C(C(=C1F)F)F)F)F)(C2=C(C(=C(C(=C2F)F)F)F)F)C3=C(C(=C(C(=C3F)F)F)F)F
• WGK 독일: 3
• PubChem CID: 582056
• 분자량: 511.98
• Beilstein: 2931347
• Reaxy-Rn: 2931347

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorobenzenes
• Alternative Parents: Aryl fluorides Organic metalloid salts Organofluorides Organoboron compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Fluorobenzene - Aryl halide - Aryl fluoride - Organic metalloid salt - Hydrocarbon derivative - Organic salt - Organofluoride - Organoboron compound - Organohalogen compound - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

화학 및 물리적 특성

• 용해성: Soluble in hexane, chloroform, dichloromethane, toluene, and polar solvents
• 감도: heat sensitive，Moisture sensitive
• 녹는점(°C): 126-130°C
• 분자량: 512.000 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 3
• Exact Mass: 511.985 Da
• Monoisotopic Mass: 511.985 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 566.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

XLogP3

참고 문헌

1. He Huaying, Zhou Weikang, Gao Jing, Wang Fan, Wang Shaobing, Fang Yan, Gao Yang, Chen Wei, Zhang Wen, Weng Yunxiang, Wang Zhengchao, Liu Haiqing.  (2022)  Efficient, biosafe and tissue adhesive hemostatic cotton gauze with controlled balance of hydrophilicity and hydrophobicity.  Nature Communications,  13  (1): (1-14).  [PMID:35087043] [10.1038/s41467-022-28209-8]

2. Kang Xi, Yongdong Wang, Chengzhe Li, Yue Lei, Xin Xu, Lai Wei, Yunfang Gao.  (2024)  A novel strategy to improve the electrochemical properties of in-situ polymerized 1,3-dioxolane electrolyte in lithium metal batteries.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:39427582] [10.1016/j.jcis.2024.10.024]

3. Ding Bin, Ding Yong, Peng Jun, Romano-deGea Jan, Frederiksen Lindsey E. K., Kanda Hiroyuki, Syzgantseva Olga A., Syzgantseva Maria A., Audinot Jean-Nicolas, Bour Jerome, Zhang Song, Wirtz Tom, Fei Zhaofu, Dörflinger Patrick, Shibayama Naoyuki, Niu Yunjuan, Hu Sixia, Zhang Shunlin, Tiranito Farzaneh Fadaei, Liu Yan, Yang Guan-Jun, Brooks Keith, Hu Linhua, Kinge Sachin, Dyakonov Vladimir, Zhang Xiaohong, Dai Songyuan, Dyson Paul J., Nazeeruddin Mohammad Khaja.  (2024)  Dopant-additive synergism enhances perovskite solar modules.  NATURE,      [PMID:38438066] [10.1038/s41586-024-07228-z]

4. Mu Yongbiao, Liao Zifan, Chu Youqi, Zhang Qing, Zou Lingfeng, Yang Lin, Feng Yitian, Ren Haixiang, Han Meisheng, Zeng Lin.  (2025)  Electron Acceptor-Driven Solid Electrolyte Interphases with Elevated LiF Content for 4.7 V Lithium Metal Batteries.  Nano-Micro Letters,  17  (1): (1-20).  [PMID:39992482] [10.1007/s40820-025-01663-x]

5. Xiankun Wu, Min Li, Xiaolong Chen, Pengfei Xiong, Huihui Gao, Haonan Li, Shujun Zhao, Zhongkai Wang, Zhong Wang.  (2024)  Fluorine-free Liquid Repellent Coatings with Fully Self-Healing and Robust Adhesion Abilities.  ACS Sustainable Chemistry & Engineering,      [PMID:] [10.1021/acssuschemeng.4c05460]

6. Tongle Xu, Jing Yang, Kangshuai Zhu, Kaidong Zhang, Qinmin Pan.  (2025)  Revealing the mechanism on HF-induced degradation of PDOL-based electrolytes for high-temperature solid-state lithium metal batteries.  COMPOSITES PART B-ENGINEERING,      [PMID:] [10.1016/j.compositesb.2025.113040]

7. Hui Chang, Hongkai Hu, Weiya Li, Guohong Kang, Vladimir G. Sergeyev, Wei Liu, Yongcheng Jin.  (2024)  Synergistic anion receptor-polymer regulate electrolyte solvation structure for high-rate solid-state lithium metal batteries.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2024.158397]

8. Lucheng Li, Meiling Liu, Peng Yang, Wenfeng Yuan, Jun Chen.  (2024)  Tris(pentafluoro)phenylborane electrolyte additive regulates the highly stable and uniform CEI membrane components to improve the high-voltage behaviors of NCM811 lithium-ion batteries.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:39053409] [10.1016/j.jcis.2024.07.155]

9. Yufeng Ren, Junhong Guo, Suli Chen, Tianxi Liu.  (2025)  Synergetic modulation of bulk ion conduction and interface chemistry in polymer-based all-solid-state lithium metal batteries.  Journal of Energy Chemistry,      [PMID:] [10.1016/j.jechem.2025.05.062]

10. Yilian Song, Haoran Li, Kang Dong, Youjun Xing, Minghui Zhang, Mingzhu Yang, Xiang Huang, Wei Liu, Yongcheng Jin.  (2025)  Interphase engineering via a synergistic dual-additive electrolyte strategy for high-voltage LiNi0.6Co0.2Mn0.2O2 cathode materials with enhanced cycling stability.  Materials Today Energy,      [PMID:] [10.1016/j.mtener.2025.101981]

11. Jimin Qiu, Yuchen Ji, Wenfang Li, Yuhang Li, Wenguang Zhao, Yunxing Zuo, Weiyuan Huang, Chen Zhu, Mingjian Zhang, Guorui Zheng, Luyi Yang, Feng Pan, Zu-Wei Yin.  (2025)  Stabilizing Lattice Oxygen via Interfacial B–O Complexing for a 4.6 V LiCoO2 Cathode.  ACS Nano,      [PMID:40955816] [10.1021/acsnano.5c11997]

12. Keding Chen, Xiaolong Shi, Yanghuan Shen, Bin Gou, Li Yang, Yingdong Li, Jin Gong, Yu Wang, Jingchao Chai, Yun Zheng, Wei Zhang, Zhihong Liu.  (2025)  Molecular Engineering Enabled In Situ 3D Cross-Linked and Thermo-Electrochemically Stable Poly(1,3-dioxolane) Solid Polymer Electrolyte.  Small,  21  (33): (2504201).  [PMID:40545862] [10.1002/smll.202504201]

13. Xinpeng Zhang, Xiaokai Cheng, Chuanding Dong, Yuming Chen, Wei Li, Bolong Peng, Gan Tao, Guoxing Nai, Jingdai Wang, Yongrong Yang.  (2026)  Boost the formation of active species in the constrained-geometry catalyst by the intermolecular TiO non-covalent interactions.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2026.179726]

14. Donglei Zhao, Kaiwen Shi, Shuang Wu, Xinyi Liu, Haoxiang Sun, Jinze Hou, Diantao Li, Siyuan Shao, Xingwei Sun, Lihong Zhang, Youxuan Ni, Zhenhua Yan, Yong Lu, Jun Chen.  (2026)  Room-temperature free-radical polymerized electrolyte design towards 650 Wh kg−1 solid-state lithium batteries.  eScience,      [PMID:] [10.1016/j.esci.2026.100626]