4-Methylstyrene - ≥96%, stabilized with TBC , CAS No.622-97-9

CAS: 622-97-9 Cat. No.: M158348 Peso molecular: 118.18 Beilstein Registry Number: 5485 Número EC: 210-762-8

GRADE & PURITY ≥96%, stabilized with TBC

Synonyms

EINECS 215-292-7 | InChI=1/C9H10/c1-3-9-6-4-8(2)5-7-9/h3-7H,1H2,2H | CCRIS 3488 | 4-VINYLTOLUENE | p-Methylstyrene, stabilized | poly(4-methyl styrene) | UNII-HJ7H0G60Q0 | 1-p-Tolylethene | DTXCID10889 | NCGC00259943-01 | p-Methyl styrene | 4-Methylstyren

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice,FedEx DG Service

Descripción general

Usually used as Π ligand in the preparation of cationic, two-coordinate triphenylphosphine-gold(I)-Π complexes.

Specifications

Sinónimos

EINECS 215-292-7 | InChI=1/C9H10/c1-3-9-6-4-8(2)5-7-9/h3-7H, 1H2, 2H | CCRIS 3488 | 4-VINYLTOLUENE | p-Methylstyrene, stabilized | poly(4-methyl styrene) | UNII-HJ7H0G60Q0 | 1-p-Tolylethene | DTXCID10889 | NCGC00259943-01 | p-Methyl styrene | 4-Methylstyren

Especificaciones y pureza

≥96%, stabilized with TBC

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice, FedEx DG Service

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

Pureza

≥96%

Nombres e identificadores

• Pubchem Sid: 504752273
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752273
• Sonrisas canónicas: CC1=CC=C(C=C1)C=C
• IUPAC Name: 1-ethenyl-4-methylbenzene
• InChIKey: JLBJTVDPSNHSKJ-UHFFFAOYSA-N
• INCHI: 1S/C9H10/c1-3-9-6-4-8(2)5-7-9/h3-7H,1H2,2H3
• Isómeros SMILES: CC1=CC=C(C=C1)C=C
• RTECS: WL5076000
• Número ONU: 1993
• Grupo de embalaje: I
• Peso molecular: 118.18
• Beilstein: 5485
• Reaxy-Rn: 1209317
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1209317&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Styrenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Styrenes
• Alternative Parents: Toluenes Aromatic hydrocarbons Cyclic olefins
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Styrene - Toluene - Aromatic hydrocarbon - Cyclic olefin - Unsaturated hydrocarbon - Olefin - Hydrocarbon - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as styrenes. These are organic compounds containing an ethenylbenzene moiety.
• 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

Propiedades químicas y físicas

• Solubilidad: Miscible with benzene. slightly miscible with water.
• Sensibilidad: air sensitive & heat sensitive
• Índice de refracción: 1.54
• Punto de inflamación (°C): 45°C(lit.)
• Punto de ebullición (°C): 175 °C
• Peso molecular: 118.180 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 118.078 Da
• Monoisotopic Mass: 118.078 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 86.200
• 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. Mengnan Qu, Bin Zhang, Yandong Wang, Yanqing Lv, Jianwei Ge, Yaxin Wu, Min Yan, Lei Shen, Jinmei He.  (2022)  Construction of underwater-superaerophilic Pd-CNTs/fluorosilane composite for enhancing heterogeneous catalytic hydrogenation reactions.  SURFACE AND INTERFACE ANALYSIS,  55  (4): (279-287).  [PMID:] [10.1002/sia.7188]

2. Huanhuan Ma, Linan Wang, Yachao Liang, Zhe Cui, Peng Fu, Minying Liu, Xiaoguang Qiao, Xinchang Pang.  (2020)  Novel tetraphenylethylene (TPE)-functionalized nitroxide/alkoxyamine for nitroxide-mediated homogeneous and heterogeneous polymerizations.  Polymer Chemistry,  12  (4): (526-533).  [PMID:] [10.1039/D0PY01369B]

3. Xianfeng Liu, Fu Yang, Shuying Gao, Bo Shao, Shijian Zhou, Yan Kong.  (2020)  Preparation of ZSM-5 containing vanadium and Brønsted acid sites with high promoting of styrene oxidation using 30% H2O2.  CHINESE JOURNAL OF CHEMICAL ENGINEERING,      [PMID:] [10.1016/j.cjche.2020.01.002]

4. Fu Yang, Bo Shao, Xianfeng Liu, Shuying Gao, Xu Hu, Man Xu, Yun Wang, Shijian Zhou, Yan Kong.  (2018)  Nanosheet-like Ni-based metasilicate towards the regulated catalytic activity in styrene oxidation via introducing heteroatom metal.  APPLIED SURFACE SCIENCE,      [PMID:] [10.1016/j.apsusc.2018.12.074]

5. Yi Yu, Meng Wang, Ying Wu, Hongxia Xi.  (2024)  In situ metallization of 2D COFs with acid/base site synergistic effects for boosting one-pot CO2 conversion.  Journal of Materials Chemistry A,  12  (32): (21398-21405).  [PMID:] [10.1039/D4TA03530E]

6. Zheng Botuo, Zhong Liling, Wang Xiaoxiao, Lin Peiyao, Yang Zezhou, Bai Tianwen, Shen Hang, Zhang Huagui.  (2024)  Structural evolution during inverse vulcanization.  Nature Communications,  15  (1): (1-17).  [PMID:38951493] [10.1038/s41467-024-49374-y]