2,5-dimetilestireno - ≥98%, contiene 500 ppm de tert-Butilcatecol como estabilizador , CAS No.2039-89-6

CAS: 2039-89-6 Cat. No.: D168401 Peso molecular: 132.2 Número EC: 218-028-9

GRADE & PURITY ≥98%, contains 500 ppm tert-Butylcatechol as stabilizer

Synonyms

2,5-DIMETILTIRENO|2039-89-6|1,4-dimetil-2-vinilbenceno|Bencenos, 2-etil-1,4-dimetil-|Estireno, 2,5-dimetil-|2-etil-1,4-dimethylbenzene|1,4-Dimethyl-2-ethenylbenzene|RTM6P5K8CA|MFCD00008614|NSC-73477|EINECS 218-028-9|UNII-RTM6P5K8CA|NSC 73477|BRN

Storage

Conservar a 2-8°C

Shipped In

Hielo húmedo

Specifications

Sinónimos

2, 5-DIMETILTIRENO | 2039-89-6 | 1, 4-dimetil-2-vinilbenceno | Bencenos, 2-etil-1, 4-dimetil- | Estireno, 2, 5-dimetil- | 2-etil-1, 4-dimethylbenzene | 1, 4-Dimethyl-2-ethenylbenzene | RTM6P5K8CA | MFCD00008614 | NSC-73477 | EINECS 218-028-9 | UNII-RTM6P5K8CA | NSC 73477 | BRN

Especificaciones y pureza

≥98%, contiene 500 ppm de tert-Butilcatecol como estabilizador

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C

Enviado en

Hielo húmedo

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504752741
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752741
• Sonrisas canónicas: CC1=CC(=C(C=C1)C)C=C
• IUPAC Name: 2-ethenyl-1,4-dimethylbenzene
• InChIKey: DBWWINQJTZYDFK-UHFFFAOYSA-N
• INCHI: 1S/C10H12/c1-4-10-7-8(2)5-6-9(10)3/h4-7H,1H2,2-3H3
• Isómeros SMILES: CC1=CC(=C(C=C1)C)C=C
• Peso molecular: 132.2
• Reaxy-Rn: 2203656
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2203656&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: p-Xylenes Aromatic hydrocarbons Cyclic olefins
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: P-xylene - Xylene - Styrene - 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

• Punto de inflamación (°C): 63°C
• Punto de ebullición (°C): 71-72°C/10mmHg
• Punto de fusión (°C): -35 °C
• Peso molecular: 132.200 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 132.094 Da
• Monoisotopic Mass: 132.094 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 115.000
• 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. Xingcong Zhang, Hao Zhang, Guanghui Guo, Qingdi Sun, Xiaohui He, Hongbing Ji.  (2023)  Phosphorus-Doped Carbon-Supported Rh Nanoparticles for the Hydroformylation of Styrene with High Regioselectivity.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,      [PMID:] [10.1021/acs.iecr.2c04328]