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· · COA & SDS available for every product · Same-day shipping on in-stock items 2-Heptyne - ≥99% , CAS No.1119-65-9
Synonyms
H0431 | Hept-2-yne | D90868 | MFCD00039970 | 1-Methyl-2-butylacetylene | DTXSID90149770 | J-002677 | InChI=1/C7H12/c1-3-5-7-6-4-2/h3,5,7H2,1-2H | 2-HEPTYNE | n-C4H9C.$.CCH3 | NSC63874 | NSC-63874 | FT-0612490 | n-Butylmethylacetylene | 2-(5,5-Dimethyl-1,2
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Why this grade ≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Normal Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
H0431 | Hept-2-yne | D90868 | MFCD00039970 | 1-Methyl-2-butylacetylene | DTXSID90149770 | J-002677 | InChI=1/C7H12/c1-3-5-7-6-4-2/h3, 5, 7H2, 1-2H | 2-HEPTYNE | n-C4H9C.$.CCH3 | NSC63874 | NSC-63874 | FT-0612490 | n-Butylmethylacetylene | 2-(5, 5-Dimethyl-1, 2
Specifications & Purity
≥99%
Names and Identifiers Canonical Smiles CCCCC#CC IUPAC Name hept-2-yne InChIKey AMSFEMSYKQQCHL-UHFFFAOYSA-N INCHI 1S/C7H12/c1-3-5-7-6-4-2/h3,5,7H2,1-2H3 Isomeric SMILES CCCCC#CC WGK Germany 3 Molecular Weight 96.17 Beilstein 1(4)1026 Reaxy-Rn 1733563 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1733563&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Hydrocarbons Class Unsaturated hydrocarbons Subclass Acetylenes Intermediate Tree Nodes Acyclic acetylenes - Alkynes Direct Parent Terminal alkynes Alternative Parents Unsaturated aliphatic hydrocarbons Molecular Framework Aliphatic acyclic compounds Substituents Monosubstituted alkyne - Unsaturated aliphatic hydrocarbon - Aliphatic acyclic compound Description This compound belongs to the class of organic compounds known as terminal alkynes. These are alkynes featuring a carbon substituent on one acetylenic carbon, and a hydrogen on the other carbon. 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.
3D Structure Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Flash Point(°F) 51.8 °F Flash Point(°C) 11°C(lit.) Boil Point(°C) 110°C Molecular Weight 96.170 g/mol XLogP3 2.900 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 0 Rotatable Bond Count 2 Exact Mass 96.0939 Da Monoisotopic Mass 96.0939 Da Topological Polar Surface Area 0.000 Ų Heavy Atom Count 7 Formal Charge 0 Complexity 78.700 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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