2-Ethynylnaphthalene - ≥98%(GC) , CAS No.2949-26-0

CAS: 2949-26-0 Cat. No.: E156146 Fórmula: C₁₂H₈ Peso molecular: 152.2 Número CE: 676-241-6

GRADE & PURITY ≥98%(GC)

Synonyms

E0933 | SY050708 | naphth-2-yl-acetylene | InChI=1/C12H8/c1-2-10-7-8-11-5-3-4-6-12(11)9-10/h1,3-9 | AKOS010651579 | 2-ethynyl-naphthalene, AldrichCPR | DTXSID50183690 | 2-Ethynyl Naphtalene | MFCD00870424 | Q-102463 | BDBM50027783 | FT-0691671 | DS-1798 |

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

E0933 | SY050708 | naphth-2-yl-acetylene | InChI=1/C12H8/c1-2-10-7-8-11-5-3-4-6-12(11)9-10/h1,3-9 | AKOS010651579 | 2-ethynyl-naphthalene, AldrichCPR | DTXSID50183690 | 2-Ethynyl Naphtalene | MFCD00870424 | Q-102463 | BDBM50027783 | FT-0691671 | DS-1798 |

Especificações e pureza

≥98%(GC)

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

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

Pureza

≥98%(GC)

Nomes e identificadores

• Pubchem Sid: 504756735
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756735
• Sorrisos canónicos: C#CC1=CC2=CC=CC=C2C=C1
• IUPAC Name: 2-ethynylnaphthalene
• InChIKey: IZXPFTLEVNQLGD-UHFFFAOYSA-N
• INCHI: 1S/C12H8/c1-2-10-7-8-11-5-3-4-6-12(11)9-10/h1,3-9H
• SMILES isoméricas: C#CC1=CC2=CC=CC=C2C=C1
• Peso molecular: 152.2
• Reaxy-Rn: 2038502
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2038502&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Aromatic hydrocarbons Polycyclic hydrocarbons Acetylides Acetylenes
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - Aromatic hydrocarbon - Polycyclic hydrocarbon - Acetylide - Unsaturated hydrocarbon - Acetylene - Hydrocarbon - Aromatic homopolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• 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

Alvos associados (humanos)

CYP1B1 Tchem Cytochrome P450 1B1 (1148 Activities)

Discover Target: CYP1B1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP1A1 Tchem Cytochrome P450 1A1 (1169 Activities)

Discover Target: CYP1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

Discover Target: CYP1A2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Alvos associados (não humanos)

Cyp2b1 Cytochrome P450 2B1 (145 Activities)

Discover Target: Cyp2b1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de ação

Propriedades químicas e físicas

• Sensibilidade: Heat sensitive
• Ponto de ebulição (°C): 110°C/1mmHg
• Ponto de fusão (°C): 40.0to44.0℃
• Peso molecular: 152.190 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 152.063 Da
• Monoisotopic Mass: 152.063 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 195.000
• 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

Referências

1. Yuan Ren, Ruiyun Guo, Yanan Li, Zixin Ge, Yaohui Zhao, Jiapeng Huang, Qian Wang, Junhao Lu, Mingshang Jin.  (2025)  Carbon-Doped Lattice Interstitial Sites Enable Water-Driven Electrocatalytic Alkyne Semihydrogenation by Suppressing Subsurface Hydrogen.  ACS Catalysis,      [PMID:] [10.1021/acscatal.5c05096]

Perguntas frequentes

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 2949-26-0, the molecular formula is C12H8, and the molecular weight is 152.2 g/mol. InChIKey IZXPFTLEVNQLGD-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.