Phenylcyclohexane - ≥97% , CAS No.827-52-1

CAS: 827-52-1 Cat. No.: P111365 Peso molecular: 160.26 Beilstein Registry Number: 1906803 Número EC: 212-572-0

GRADE & PURITY ≥97%

Synonyms

NSC69101 | NSC-69101 | J-520169 | UNII-TRJ2SXT894 | NCIOpen2_001732 | DTXSID3061188 | cyclohexylbenzen | Cyclohexylbenzene

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

These additives have low water content (less than 100 ppm), please handle under inert and moisture free enviornment (glove box). Keep containers tightly closed. Keep away from heat and ignition sources. Store in a cool and dry place. Avoid storing together with oxidizers.

The presence of electrolyte additives enhances the performance of lithium ion batteries by improving their thermal stability and ionic conductivity. Additives also reduce the flammability of electrolytes and provide overcharge protection. Phenylcyclohexane finds application as an additive in lithium ion batteries.

Specifications

Sinónimos

NSC69101 | NSC-69101 | J-520169 | UNII-TRJ2SXT894 | NCIOpen2_001732 | DTXSID3061188 | cyclohexylbenzen | Cyclohexylbenzene

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504752436
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752436
• Sonrisas canónicas: C1CCC(CC1)C2=CC=CC=C2
• IUPAC Name: cyclohexylbenzene
• InChIKey: IGARGHRYKHJQSM-UHFFFAOYSA-N
• INCHI: 1S/C12H16/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2
• Isómeros SMILES: C1CCC(CC1)C2=CC=CC=C2
• WGK Alemania: 2
• RTECS: CZ1330000
• Peso molecular: 160.26
• Beilstein: 1906803
• Reaxy-Rn: 1906803
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1906803&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Aromatic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Aromatic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homomonocyclic compound
• Descripción: 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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Immiscible with water.
• Sensibilidad: Hygroscopic;heat sensitive
• Índice de refracción: 1.53
• Punto de inflamación (°F): 208 °F
• Punto de inflamación (°C): 98 °C
• Punto de ebullición (°C): 239-240℃
• Punto de fusión (°C): 5-6℃
• Peso molecular: 160.250 g/mol
• XLogP3: 4.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 160.125 Da
• Monoisotopic Mass: 160.125 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 116.000
• 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

Referencias

1. Chao Cheng, Chenyu Zhang, Zhengguo Chen, Fei Zhou, Jinli Zhou, Zeyu Sun, Muhuo Yu.  (2023)  Polydicyclopentadiene toughened epoxy resin and its carbon fiber composites via sequential polymerization.  POLYMER COMPOSITES,  44  (10): (6929-6943).  [PMID:] [10.1002/pc.27608]

2. Qingyang Li, Zhengting Xiao, Hongchuan Xin, Guangci Li, Da Wang, Chao Feng, Xuebing Li, Song Chen, Keng H. Chung.  (2023)  Enhancement of hydrotreating activity of oil-soluble CoMo6 heteropolyacid for 4,6-dimethyldibenzothiophene and vacuum residue by controlling sulfurization degree.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2023.145128]

3. Hongyu Niu, Xing-Bao Wang, Jingjie Luo, Jiaxin Liu, Chuang Li, Wen-Ying Li, Changhai Liang.  (2023)  C-S cleavage of dibenzothiophenes with or without steric hindrance by the interface between PtSx and ZnO.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2023.144115]

4. Ruoteng Ma, Shaoning Wang, Lisha Ma, Bowen Li, Yanlei Hu, Lili Zhang, Liang Liu, Jinxia Ma, Yimin Fan, Juan Yu, Zhiguo Wang.  (2022)  Application of poly(lactic acid)-grafted cellulose nanofibers as both inhibitor and reinforcement for 3D-printable tough polydicyclopentadiene composites via frontal ring-opening metathesis polymerization.  INDUSTRIAL CROPS AND PRODUCTS,      [PMID:] [10.1016/j.indcrop.2022.115217]

5. Shuchen Shi, Wenhao Bai, Cunjian Lin, Tongtong Xuan, Guoyan Dong, Fan Huang, Rong-Jun Xie.  (2022)  Uniformity and Stability of Quantum Dot Pixels Evaluated by Microscale Fluorescence Spectroscopy.  Laser & Photonics Reviews,  16  (8): (2100699).  [PMID:] [10.1002/lpor.202100699]

6. Wei Jian, Huang He, Luo Qinglong, Liu Na, Wang Xueying, Wang Xuefeng, Zhong Mei, Huang Xueli.  (2021)  Synthesis of Few Layer Amorphous 1T/2H MoS2 by a One-Step Ethanol/Water Solvothermal Method and Its Hydrodesulfurization Performance.  CATALYSIS LETTERS,  152  (1): (263-275).  [PMID:] [10.1007/s10562-021-03621-9]

7. Chunhao Guo, Yang Tang, Jinru Wan, Yue Zuo, Yong Wang, Yichang Wang, Xunqiu Wang.  (2020)  Isobaric vapour-liquid equilibrium for binary system of cyclohexanol + cyclohexylbenzene at (5, 10, 15, 20 and 25) kPa.  JOURNAL OF CHEMICAL THERMODYNAMICS,      [PMID:] [10.1016/j.jct.2020.106086]

8. Zhiqiao He, Junjun Sun, Jie Wei, Qiong Wang, Chengxiang Huang, Jianmeng Chen, Shuang Song.  (2013)  Effect of silver or copper middle layer on the performance of palladium modified nickel foam electrodes in the 2-chlorobiphenyl dechlorination.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:23454456] [10.1016/j.jhazmat.2013.02.001]

9. Jingyi Yang, Yongzhen Gao, Jie Fan, Jieqiong Wang, Tao Yang, Zezheng Bing, Meng Zhang, Zhongyi Liu.  (2024)  Boosting the selective hydrogenation of biphenyl to cyclohexylbenzene over bimetallic Ni-Ru/SiO2 catalyst via enhancing strong metal-support interaction.  APPLIED SURFACE SCIENCE,      [PMID:] [10.1016/j.apsusc.2024.160012]

10. Xiyang Su, Weixi Gao, Sepideh Sadat Hosseini Noorabadi, Yihao Li, Patrick Ryan Galligan, Yapeng Chen, Xingyi Zhang, Jinglei Yang.  (2025)  Thermal induced anisotropic deformation of DCPD gels during frontal polymerization.  COMPOSITES PART A-APPLIED SCIENCE AND MANUFACTURING,      [PMID:] [10.1016/j.compositesa.2025.109524]

11. Qiwei Li, Yijian Zhou, Xinrui Huang, Caihong Yan, Shuaishuai Wang, Zongjie He, Chang Lin, Yang Li, Kaixin Zhang, Jie Sun, Qun Yan, Tailiang Guo.  (2026)  All Inkjet-Printed red Micro Quantum-Dots Light-Emitting diodes (QLEDs): Fabrication and performance.  DISPLAYS,      [PMID:] [10.1016/j.displa.2026.103385]

12. Qing Zhuo, Yi Li, Yaqian Zhang, Wen Qiu, Yuli Bu, Jinxiang Zhang, Jiajun Ding, Qiuyan Li, Xi Xiang, Yuanyuan Li, Hangyu Dong, Jun Zhao, Yingru Li, Li Li, Xiaoshan Yan, Panchao Yin.  (2026)  Sulfur-free crosslinking of diene rubbers enabled by ring-opening metathesis polymerization.  Materials Today Communications,      [PMID:] [10.1016/j.mtcomm.2026.114986]