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

CAS: 171290-52-1 Cat. No.: E156083 Fórmula: C₁₀H₁₀O₂ Peso molecular: 162.19 Número 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

Sinónimos

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

Especificações e pureza

≥98%(GC)

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%(GC)

Nomes e identificadores

• Pubchem Sid: 504763097
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763097
• Sorrisos canónicos: 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
• SMILES isoméricas: COC1=CC(=CC(=C1)C#C)OC
• WGK Alemanha: 3
• Peso molecular: 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
• Descrição: 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

Propriedades químicas e físicas

• Ponto de fusão (°C): 44-48°C
• Peso molecular: 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