2-Ethynyl-1,3,5-trimethylbenzene - ≥97% , CAS No.769-26-6

CAS: 769-26-6 Cat. No.: E404434 Summenformel: C₁₁H₁₂ Molekulargewicht: 144.22 EG-Nummer: 804-371-7

GRADE & PURITY ≥97%

Synonyms

benzene, 2-ethynyl-1,3,5-trimethyl- | 2-Ethynyl-1,3,5-trimethylbenzene, 96% | AS-60989 | MFCD07777099 | VBEPMNWLWNKUGJ-UHFFFAOYSA-N | mesitylacetylene | AKOS023427851 | SY234778 | FT-0691415 | T72925 | 2-ethynyl-1,3,5-trimethylbenzene | E1361 | 2,4,6-Trim

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

benzene, 2-ethynyl-1,3,5-trimethyl- | 2-Ethynyl-1,3,5-trimethylbenzene, 96% | AS-60989 | MFCD07777099 | VBEPMNWLWNKUGJ-UHFFFAOYSA-N | mesitylacetylene | AKOS023427851 | SY234778 | FT-0691415 | T72925 | 2-ethynyl-1,3,5-trimethylbenzene | E1361 | 2,4,6-Trim

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

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

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

504757081

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504757081

Kanonisches Lächeln

CC1=CC(=C(C(=C1)C)C#C)C

IUPAC Name

2-ethynyl-1,3,5-trimethylbenzene

InChIKey

VBEPMNWLWNKUGJ-UHFFFAOYSA-N

INCHI

1S/C11H12/c1-5-11-9(3)6-8(2)7-10(11)4/h1,6-7H,2-4H3

Isomere SMILES

CC1=CC(=C(C(=C1)C)C#C)C

Molekulargewicht

144.22

Reaxy-Rn

1928530

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1928530&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Aromatic hydrocarbons Acetylides Acetylenes
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Aromatic hydrocarbon - Acetylide - Unsaturated hydrocarbon - Acetylene - Hydrocarbon - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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: Heat Sensitive;Moisture sensitive
• Brechungsindex: 1.55
• Flammpunkt (°C): 83 °C
• Siedepunkt (°C): 215 °C
• Schmelzpunkt (°C): 4 °C
• Molekulargewicht: 144.210 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 144.094 Da
• Monoisotopic Mass: 144.094 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 160.000
• 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