(1-Ethynylcyclopropyl)benzene - ≥98% , CAS No.139633-98-0

CAS: 139633-98-0 Cat. No.: E190825 Fórmula: C₁₁H₁₀ Peso molecular: 142.2

GRADE & PURITY ≥98%

Synonyms

FT-0651317 | Q-103430 | DTXSID40577867 | Benzene, (1-ethynylcyclopropyl)- | AM20020466 | 1-phenyl-1-ethynylcyclopropane | (1-ETHYNYLCYCLOPROPYL)BENZENE | (1-Ethynyl-cyclopropyl)-benzene | A885966 | 1-(1-ethynylcyclopropyl)benzene | EN300-373940 | MFCD1110

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

FT-0651317 | Q-103430 | DTXSID40577867 | Benzene, (1-ethynylcyclopropyl)- | AM20020466 | 1-phenyl-1-ethynylcyclopropane | (1-ETHYNYLCYCLOPROPYL)BENZENE | (1-Ethynyl-cyclopropyl)-benzene | A885966 | 1-(1-ethynylcyclopropyl)benzene | EN300-373940 | MFCD1110

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

• Sorrisos canónicos: C#CC1(CC1)C2=CC=CC=C2
• IUPAC Name: (1-ethynylcyclopropyl)benzene
• InChIKey: JZMJNHMUPFGYFK-UHFFFAOYSA-N
• INCHI: 1S/C11H10/c1-2-11(8-9-11)10-6-4-3-5-7-10/h1,3-7H,8-9H2
• SMILES isoméricas: C#CC1(CC1)C2=CC=CC=C2
• Peso molecular: 142.2
• Reaxy-Rn: 5805958
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5805958&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• Peso molecular: 142.200 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 142.078 Da
• Monoisotopic Mass: 142.078 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 183.000
• 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