Phenyl-POSS , CAS No.5256-79-1

CAS: 5256-79-1 Cat. No.: P102340 분자식: C₄₈H₄₀O₁₂Si₈ 분자량: 1033.51 Beilstein Registry Number: 16(4)1556

Synonyms

1,3,5,7,9,11,13,15-octaphenylpentacyclo[9.5.1.1(3,9).1(5,15).1(7,13)]octasiloxane | 1-Methylpiperidin-3-amine--hydrogen chloride (1/2) | AKOS015903488 | KBXJHRABGYYAFC-UHFFFAOYSA-N | O0349 | Octaphenyloctasilsesquioxane | MFCD00308870 | Octaphenyl Silsesq

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

동의어

1,3,5,7,9,11,13,15-octaphenylpentacyclo[9.5.1.1(3,9).1(5,15).1(7,13)]octasiloxane | 1-Methylpiperidin-3-amine--hydrogen chloride (1/2) | AKOS015903488 | KBXJHRABGYYAFC-UHFFFAOYSA-N | O0349 | Octaphenyloctasilsesquioxane | MFCD00308870 | Octaphenyl Silsesq

보관 조건

Room temperature,Argon charged

배송

Normal

이름과 식별자

• Pubchem Sid: 504759101
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759101
• 정식 스마일: C1=CC=C(C=C1)[Si]23O[Si]4(O[Si]5(O[Si](O2)(O[Si]6(O[Si](O3)(O[Si](O4)(O[Si](O5)(O6)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1
• IUPAC Name: 1,3,5,7,9,11,13,15-octakis-phenyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane
• InChIKey: KBXJHRABGYYAFC-UHFFFAOYSA-N
• INCHI: 1S/C48H40O12Si8/c1-9-25-41(26-10-1)61-49-62(42-27-11-2-12-28-42)52-65(45-33-17-5-18-34-45)54-63(50-61,43-29-13-3-14-30-43)56-67(47-37-21-7-22-38-47)57-64(51-61,44-31-15-4-16-32-44)55-66(53-62,46-35-19-6-20-36-46)59-68(58-65,60-67)48-39-23-8-24-40-48/h1-40H
• 이성체 SMILES: C1=CC=C(C=C1)[Si]23O[Si]4(O[Si]5(O[Si](O2)(O[Si]6(O[Si](O3)(O[Si](O4)(O[Si](O5)(O6)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1
• WGK 독일: 3
• 분자량: 1033.51
• Beilstein: 16(4)1556
• Reaxy-Rn: 2934975
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2934975&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Organoheterosilanes Organic metalloid salts Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Monocyclic benzene moiety - Organoheterosilane - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organosilicon compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

• 감도: Moisture sensitive
• 녹는점(°C): >350 °C (lit.)
• 분자량: 1033.500 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 8
• Exact Mass: 1032.07 Da
• Monoisotopic Mass: 1032.07 Da
• Topological Polar Surface Area: 111.000 Ų
• Heavy Atom Count: 68
• Formal Charge: 0
• Complexity: 1270.000
• 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. Li Tao, Zhang Yang, Sun Yu, Dai Haiyang, Chen Jing.  (2023)  Preparation and characterization of low-permittivity polyimide-based composite membrane.  JOURNAL OF POLYMER RESEARCH,  30  (4): (1-10).  [PMID:] [10.1007/s10965-023-03508-w]

2. Xingyu Zhou, Rui Yu, Junhui Jiang, Junbo Dang, Jiashuang Luan, Guibin Wang, Mei Zhang.  (2022)  PEEK composite resin with enhanced intumescent flame retardancy loaded with Octaphenylsilsesquioxane and nano calcium carbonate and its application in fibers.  POLYMER DEGRADATION AND STABILITY,      [PMID:] [10.1016/j.polymdegradstab.2022.110042]

3. Mo Yang, Yang Lijun, Hou Wei, Zou Tiantian, Huang Youyu, Zheng Xiaoling, Liao Ruijin.  (2019)  Preparation of cellulose insulating paper of low dielectric constant by OAPS grafting.  CELLULOSE,  26  (12): (7451-7468).  [PMID:] [10.1007/s10570-019-02570-2]

4. Jun Liu, Yunfei Liu, Xiaowei Jiang, Yali Luo, Yinong Lyu.  (2017)  POSS-based microporous polymers: Efficient Friedel-Crafts synthesis, CO2 capture and separation properties.  MICROPOROUS AND MESOPOROUS MATERIALS,      [PMID:] [10.1016/j.micromeso.2017.05.043]

5. Shaolei Wang, Liangxiao Tan, Chengxin Zhang, Irshad Hussain, Bien Tan.  (2015)  Novel POSS-based organic–inorganic hybrid porous materials by low cost strategies.  Journal of Materials Chemistry A,  3  (12): (6542-6548).  [PMID:] [10.1039/C4TA06963C]

6. Ting Chen, Jing Hong, Chaohua Peng, Guorong Chen, Conghui Yuan, Yiting Xu, Birong Zeng, Lizong Dai.  (2018)  Superhydrophobic and flame retardant cotton modified with DOPO and fluorine-silicon-containing crosslinked polymer.  CARBOHYDRATE POLYMERS,      [PMID:30658784] [10.1016/j.carbpol.2018.12.023]

7. Dengyang Chen, Lisha Zhang, Chengzhe Gao, Qiwu Shi, Silin He, Zhao Wang, Guangxian Li, Pengjian Gong.  (2025)  Low terahertz transmission loss of polyphenylene sulfide/polyhedral oligomeric silsesquioxane nanocomposite foam for high-performance terahertz antenna.  COMPOSITES COMMUNICATIONS,      [PMID:] [10.1016/j.coco.2025.102513]

8. Quanyin Xu, Jiachen Li, Yueer Du, Wangyang Lu, Rongchun Zhang, Biao Zuo.  (2026)  Role of Chemical Tethering in Polymer Glass Formation.  MACROMOLECULES,      [PMID:] [10.1021/acs.macromol.6c00128]