What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 30413-58-2, the molecular formula is C8H7N, and the molecular weight is 117.151 g/mol. InChIKey RUFOVPQUNXLVFW-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.

2-ethynyl-6-methylpyridine (Cas No 30413-58-2) ≥97% high purity and research grade

Kanonisches Lächeln	CC1=NC(=CC=C1)C#C
IUPAC Name	2-ethynyl-6-methylpyridine
InChIKey	RUFOVPQUNXLVFW-UHFFFAOYSA-N
INCHI	1S/C8H7N/c1-3-8-6-4-5-7(2)9-8/h1,4-6H,2H3
Isomere SMILES	CC1=NC(=CC=C1)C#C
Molekulargewicht	117.151
Reaxy-Rn	1099270
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1099270&ln=

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Klasse Pyridines and derivatives
    - Subclass Methylpyridines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Klasse	Pyridines and derivatives
Subclass	Methylpyridines
Intermediate Tree Nodes	Not available
Direct Parent	Methylpyridines
Alternative Parents	Heteroaromatic compounds Azacyclic compounds Acetylides Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Methylpyridine - Heteroaromatic compound - Acetylide - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
Beschreibung	This compound belongs to the class of organic compounds known as methylpyridines. These are organic compounds containing a pyridine ring substituted at one or more positions by a methyl group.
External Descriptors	Not available
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

3D-Struktur

Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemische und physikalische Eigenschaften

Molekulargewicht	117.150 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	117.058 Da
Monoisotopic Mass	117.058 Da
Topological Polar Surface Area	12.900 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	131.000
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

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2-ethynyl-6-methylpyridine - ≥97% , CAS No.30413-58-2

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Specifications

Documentation

📋 Safety Data Sheet (SDS)

✅ Certificate of Analysis (COA)

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