2-Ethynyl-1,4-dimethylbenzene - ≥97% , CAS No.74331-70-7

CAS: 74331-70-7 Cat. No.: E469623 Summenformel: C₁₀H₁₀ Molekulargewicht: 130.19 EG-Nummer: 624-583-1

GRADE & PURITY ≥97%

Synonyms

MFCD05664209 | 2-Ethynyl-1,4-dimethylbenzene, 97% | 2-Ethynyl-1,4-dimethylbenzene | 2-ethynyl-1,4-dimethyl-benzene | FT-0641511 | AKOS010651618 | A838095 | DTXSID90571294 | EN300-1231824 | 2-Ethynyl-p-xylene

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

MFCD05664209 | 2-Ethynyl-1,4-dimethylbenzene, 97% | 2-Ethynyl-1,4-dimethylbenzene | 2-ethynyl-1,4-dimethyl-benzene | FT-0641511 | AKOS010651618 | A838095 | DTXSID90571294 | EN300-1231824 | 2-Ethynyl-p-xylene

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C,Protected from light,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

• Kanonisches Lächeln: CC1=CC(=C(C=C1)C)C#C
• IUPAC Name: 2-ethynyl-1,4-dimethylbenzene
• InChIKey: UNUIVBVNLZPXCR-UHFFFAOYSA-N
• INCHI: 1S/C10H10/c1-4-10-7-8(2)5-6-9(10)3/h1,5-7H,2-3H3
• Isomere SMILES: CC1=CC(=C(C=C1)C)C#C
• WGK Deutschland: 3
• Molekulargewicht: 130.19
• Reaxy-Rn: 2552513
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2552513&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Xylenes
• Intermediate Tree Nodes: Not available
• Direct Parent: p-Xylenes
• Alternative Parents: Aromatic hydrocarbons Acetylides Acetylenes
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: P-xylene - Aromatic hydrocarbon - Acetylide - Unsaturated hydrocarbon - Acetylene - Hydrocarbon - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as p-xylenes. These are aromatic compounds that contain a p-xylene moiety, which is a monocyclic benzene carrying exactly two methyl groups at the 1- and 4-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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: light sensitive
• Brechungsindex: n20/D 1.5410 (lit.)
• Flammpunkt (°F): 8.6 °F
• Flammpunkt (°C): -13 °C
• Siedepunkt (°C): 193-194 °C (lit.)
• Molekulargewicht: 130.190 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 130.078 Da
• Monoisotopic Mass: 130.078 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 149.000
• 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