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

CAS: 2949-26-0 Cat. No.: E156146 分子式: C₁₂H₈ 分子量: 152.2 EC番号: 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

同義語

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 |

仕様と純度

≥98%(GC)

保管条件

Store at 2-8°C

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%(GC)

名前と識別子

• パブケム・シド: 504756735
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504756735
• カノニカル・スマイル: 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
• 異性体SMILES: C#CC1=CC2=CC=CC=C2C=C1
• 分子量: 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
    • 分類 Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

関連ターゲット（人間）

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

関連ターゲット（非人間）

Cyp2b1 Cytochrome P450 2B1 (145 Activities)

Discover Target: Cyp2b1

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

作用メカニズム

化学的性質と物理的性質

• 感度: Heat sensitive
• 沸点（°C）: 110°C/1mmHg
• 融点（°C）: 40.0to44.0℃
• 分子量: 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

参考文献

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]

よくある質問

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.