5-Ethyl-m-xylene - ≥98%(GC) , CAS No.934-74-7

CAS: 934-74-7 Cat. No.: E156311 Fórmula: C₁₀H₁₄ Peso molecular: 134.22 Número CE: 213-290-0

GRADE & PURITY ≥98%(GC)

Synonyms

5-Ethyl-m-xylene | LMAUULKNZLEMGN-UHFFFAOYSA-N | UNII-WQH822L3HK | m-Xylene, 5-ethyl- | E0282 | AKOS006228184 | 1,3-DIMETHYL-5-ETHYLBENZENE | DTXSID1061316 | 1,3-Dimethyl-5-ethyl benzene | 5-ethyl-1,3-dimethylbenzene | Q63409470 | Benzene,5-dimethyl- | Be

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

5-Ethyl-m-xylene | LMAUULKNZLEMGN-UHFFFAOYSA-N | UNII-WQH822L3HK | m-Xylene, 5-ethyl- | E0282 | AKOS006228184 | 1,3-DIMETHYL-5-ETHYLBENZENE | DTXSID1061316 | 1,3-Dimethyl-5-ethyl benzene | 5-ethyl-1,3-dimethylbenzene | Q63409470 | Benzene,5-dimethyl- | Be

Especificações e pureza

≥98%(GC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%(GC)

Nomes e identificadores

• Pubchem Sid: 508809839
• Sorrisos canónicos: CCC1=CC(=CC(=C1)C)C
• IUPAC Name: 1-ethyl-3,5-dimethylbenzene
• InChIKey: LMAUULKNZLEMGN-UHFFFAOYSA-N
• INCHI: 1S/C10H14/c1-4-10-6-8(2)5-9(3)7-10/h5-7H,4H2,1-3H3
• SMILES isoméricas: CCC1=CC(=CC(=C1)C)C
• Peso molecular: 134.22
• Reaxy-Rn: 2038360
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2038360&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Xylenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Xylenes
• Intermediate Tree Nodes: Not available
• Direct Parent: m-Xylenes
• Alternative Parents: Aromatic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: M-xylene - Aromatic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as m-xylenes. These are aromatic compounds that contain a m-xylene moiety, which is a monocyclic benzene carrying exactly two methyl groups at the 1- and 3-positions.
• 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

Propriedades químicas e físicas

• Índice de refração: 1.50
• Ponto de inflamação (°C): 38°C(lit.)
• Ponto de ebulição (°C): 184°C
• Ponto de fusão (°C): -84°C(lit.)
• Peso molecular: 134.220 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 134.11 Da
• Monoisotopic Mass: 134.11 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• 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