4-Ethynyl-1,1'-biphenyl - ≥98% , CAS No.29079-00-3

CAS: 29079-00-3 Cat. No.: E192562 分子式: C₁₄H₁₀ 分子量: 178.23 EC番号: 689-836-0

GRADE & PURITY ≥98%

Synonyms

4-Ethynyl-1,1`-biphenyl | 1-ethynyl-4-phenylbenzene | BRN 1927901 | J-017380 | LY 81979 | AKOS009156711 | J-515304 | 1-Phenyl-4-ethynylbenzene | 4-Ethynyl-1,1'-biphenyl | 1,1'-Biphenyl,4-ethynyl- | 4-Biphenylacetylene | 4-Biphenylylacetylene | A18583 | BP

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

同義語

4-Ethynyl-1,1`-biphenyl | 1-ethynyl-4-phenylbenzene | BRN 1927901 | J-017380 | LY 81979 | AKOS009156711 | J-515304 | 1-Phenyl-4-ethynylbenzene | 4-Ethynyl-1,1'-biphenyl | 1,1'-Biphenyl,4-ethynyl- | 4-Biphenylacetylene | 4-Biphenylylacetylene | A18583 | BP

仕様と純度

≥98%

保管条件

Store at 2-8°C,Argon charged

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%

名前と識別子

• パブケム・シド: 504753530
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504753530
• カノニカル・スマイル: C#CC1=CC=C(C=C1)C2=CC=CC=C2
• IUPAC Name: 1-ethynyl-4-phenylbenzene
• InChIKey: BPBNKCIVWFCMJY-UHFFFAOYSA-N
• INCHI: 1S/C14H10/c1-2-12-8-10-14(11-9-12)13-6-4-3-5-7-13/h1,3-11H
• 異性体SMILES: C#CC1=CC=C(C=C1)C2=CC=CC=C2
• WGKドイツ: 3
• 分子量: 178.23
• Reaxy-Rn: 1927901
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1927901&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Aromatic hydrocarbons Acetylides Acetylenes
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenyl - Aromatic hydrocarbon - Acetylide - Unsaturated hydrocarbon - Acetylene - Hydrocarbon - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• 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）

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

作用メカニズム

化学的性質と物理的性質

• 感度: light & air & heat sensitive
• 融点（°C）: 88 °C
• 分子量: 178.230 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 178.078 Da
• Monoisotopic Mass: 178.078 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 205.000
• 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

よくある質問

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 are the CAS number, molecular formula and molecular weight?

The CAS Number is 29079-00-3, the molecular formula is C14H10, and the molecular weight is 178.23 g/mol. InChIKey BPBNKCIVWFCMJY-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.