Poly(4-methylstyrene) - average Mw ~72,000 by GPC, powder , CAS No.24936-41-2

CAS: 24936-41-2 Cat. No.: P478289

GRADE & PURITY average Mw ~72,000 by GPC, powder

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

Room temperature

Shipped In

Normal

Specifications

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

Specifications & Purity

average Mw ~72, 000 by GPC, powder

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

• Canonical Smiles: Cc1ccc(C=C)cc1
• 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
• Isomeric SMILES: CC1=CC=C(C=C1)C=C

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Chemical and Physical Properties

• Flash Point(°F): Not applicable
• Flash Point(°C): Not applicable
• Melt Point(°C): Tg106℃
• Molecular Weight: 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

References

1. 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]