3-Ethynylindole - ≥95% , CAS No.62365-78-0

CAS: 62365-78-0 Cat. No.: E185620 分子式: C₁₀H₇N 分子量: 141.17 EC番号: 110-530-5

GRADE & PURITY ≥95%

Synonyms

AS-31600 | SY008634 | 3-Ethynylindole | 3-ETHYNYL-INDOLE | FT-0741467 | A868489 | UJJFTIBNCODKOS-UHFFFAOYSA-N | EN300-821273 | AMY20280 | AB06167 | MFCD00463781 | SCHEMBL1752696 | 1H-Indole, 3-ethynyl- | AKOS006239999 | DTXSID30492555 | 3-ETHYNYL-1H-INDOL

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

同義語

AS-31600 | SY008634 | 3-Ethynylindole | 3-ETHYNYL-INDOLE | FT-0741467 | A868489 | UJJFTIBNCODKOS-UHFFFAOYSA-N | EN300-821273 | AMY20280 | AB06167 | MFCD00463781 | SCHEMBL1752696 | 1H-Indole, 3-ethynyl- | AKOS006239999 | DTXSID30492555 | 3-ETHYNYL-1H-INDOL

仕様と純度

≥95%

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

≥95%

名前と識別子

• カノニカル・スマイル: C#CC1=CNC2=CC=CC=C21
• IUPAC Name: 3-ethynyl-1H-indole
• InChIKey: UJJFTIBNCODKOS-UHFFFAOYSA-N
• INCHI: 1S/C10H7N/c1-2-8-7-11-10-6-4-3-5-9(8)10/h1,3-7,11H
• 異性体SMILES: C#CC1=CNC2=CC=CC=C21
• 分子量: 141.17
• Reaxy-Rn: 1617883
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1617883&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Indoles and derivatives
      • Subclass Indoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Indoles and derivatives
• Subclass: Indoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Indoles
• Alternative Parents: Substituted pyrroles Benzenoids Heteroaromatic compounds Azacyclic compounds Acetylides Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indole - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Acetylide - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.
• 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

化学的性質と物理的性質

• 感度: Light sensitive
• 分子量: 141.170 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 141.058 Da
• Monoisotopic Mass: 141.058 Da
• Topological Polar Surface Area: 15.800 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 188.000
• 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 ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

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 are the CAS number, molecular formula and molecular weight?

The CAS Number is 62365-78-0, the molecular formula is C10H7N, and the molecular weight is 141.17 g/mol. InChIKey UJJFTIBNCODKOS-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.