1-Ethynyl-3,5-dimethoxybenzene - ≥98%(GC) , CAS No.171290-52-1

CAS: 171290-52-1 Cat. No.: E156083 Formule: C₁₀H₁₀O₂ Poids moléculaire: 162.19 Numéro CE: 626-845-0

GRADE & PURITY ≥98%(GC)

Synonyms

1-ETHYNYL-3 5-DIMETHOXYBENZENE 98 | AB92248 | 1-Ethylnyl-3,5-dimethoxybenzene | 1-Ethynyl-3,5-dimethoxybenzene, 98% (CP) | EN300-1867071 | SY050709 | MFCD03839985 | 3,5-Dimethoxyphenyl acetylene | Q-102454 | BCP10916 | 3.5-dimethoxyphenylacetylene | AKOS

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonymes

1-ETHYNYL-3 5-DIMETHOXYBENZENE 98 | AB92248 | 1-Ethylnyl-3,5-dimethoxybenzene | 1-Ethynyl-3,5-dimethoxybenzene, 98% (CP) | EN300-1867071 | SY050709 | MFCD03839985 | 3,5-Dimethoxyphenyl acetylene | Q-102454 | BCP10916 | 3.5-dimethoxyphenylacetylene | AKOS

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%(GC)

Noms et identifiants

• Pubchem Sid: 504763097
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763097
• Sourires canoniques: COC1=CC(=CC(=C1)C#C)OC
• IUPAC Name: 1-ethynyl-3,5-dimethoxybenzene
• InChIKey: HUSBBWQIJMRKLI-UHFFFAOYSA-N
• INCHI: 1S/C10H10O2/c1-4-8-5-9(11-2)7-10(6-8)12-3/h1,5-7H,2-3H3
• Isomères SMILES: COC1=CC(=CC(=C1)C#C)OC
• WGK Allemagne: 3
• Poids moléculaire: 162.19
• Reaxy-Rn: 7288419
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7288419&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Methoxybenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Dimethoxybenzenes
• Alternative Parents: Phenoxy compounds Anisoles Alkyl aryl ethers Acetylides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: M-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Phenol ether - Anisole - Alkyl aryl ether - Acetylide - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
• 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

Propriétés chimiques et physiques

• Point de fusion (°C): 44-48°C
• Poids moléculaire: 162.180 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 162.068 Da
• Monoisotopic Mass: 162.068 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 168.000
• 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