1-Heptyne - ≥97% , CAS No.628-71-7

CAS: 628-71-7 Cat. No.: H100842 Fórmula: C7H12 Peso molecular: 96.17 Beilstein Registry Number: 1733518 Número EC: 211-051-5
Disponible para pedir
GRADE & PURITY ≥97%
Synonyms
A834053 | Amyl acetylene | Q2173541 | n-C5H11C.$.CH | UNII-Z3NF9SSH6K | MFCD00009529 | 1-Heptyne, 98% | FT-0607880 | NSC9710 | NSC-9710 | EINECS 211-051-5 | 1-Heptyne--d5 | NSC 9710 | hept-1-yne | InChI=1/C7H12/c1-3-5-7-6-4-2/h1H,4-7H2,2H | Heptyne | EN30
Storage
Room temperature
Shipped In
FedEx DG Service
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Size
Alemania (EU)
USA*
Price
Qty
5ml
H100842-5ml
—
1 Disponible
29,42€
25ml
H100842-25ml
—
3 Disponible
101,44€
Enter a quantity for the sizes you want to add.
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Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships FedEx DG Service 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Descripción general

The hydrogenation of 1-heptyne with palladium, platinum and ruthenium supported on activated carbon as catalysts, was studied.
1-Heptyne was used in the synthesis of (6Z,10E,12Z)-octadeca-6,10,12-trienoic acid and (8Z,12E,14Z)-eicosa-8,12,14-trienoic acid.

Specifications

Sinónimos
A834053 | Amyl acetylene | Q2173541 | n-C5H11C.$.CH | UNII-Z3NF9SSH6K | MFCD00009529 | 1-Heptyne, 98% | FT-0607880 | NSC9710 | NSC-9710 | EINECS 211-051-5 | 1-Heptyne--d5 | NSC 9710 | hept-1-yne | InChI=1/C7H12/c1-3-5-7-6-4-2/h1H,4-7H2,2H | Heptyne | EN30
Especificaciones y pureza
≥97%
Condiciones de almacenamiento de almacenamiento
Room temperature
Enviado en
FedEx DG Service
Pureza
≥97%
Nombres e identificadores
Pubchem Sid
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504752311
Sonrisas canónicas
CCCCCC#C
IUPAC Name
hept-1-yne
InChIKey
YVXHZKKCZYLQOP-UHFFFAOYSA-N
INCHI
1S/C7H12/c1-3-5-7-6-4-2/h1H,4-7H2,2H3
Isómeros SMILES
CCCCCC#C
WGK Alemania
3
Número ONU
3295
Peso molecular
96.17
Beilstein
1733518
Reaxy-Rn
1733518
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1733518&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

Taxonomy Tree

KingdomOrganic compounds
SuperclassAcetylides
ClaseNot available
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentAcetylides
Alternative Parents Terminal alkynes  Unsaturated aliphatic hydrocarbons  
Molecular FrameworkAliphatic acyclic compounds
Substituents Acetylide - Monosubstituted alkyne - Unsaturated aliphatic hydrocarbon - Unsaturated hydrocarbon - Alkyne - Acyclic acetylene - Acetylene - Hydrocarbon - Aliphatic acyclic compound
DescripciónThis compound belongs to the class of organic compounds known as acetylides. These are compounds arising by replacement of one or both hydrogen atoms of acetylene (ethyne) by a metal or other cationic group. E.g. NaC#CH monosodium acetylide. By extension, analogous compounds derived from terminal acetylenes, RC#CH. The class is limited here to derivatives of acetylene where the hydrogen atom is replaced with an element with similar or lower electronegativity that carbon.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

9 results found

Lot NumberCertificate TypeFechaArticulo
G2627020Certificate of AnalysisAug 14, 2026 H100842
J2325359Certificate of AnalysisOct 09, 2023 H100842
J2325360Certificate of AnalysisOct 09, 2023 H100842
H2330617Certificate of AnalysisAug 19, 2023 H100842
H2330618Certificate of AnalysisAug 19, 2023 H100842
H2330619Certificate of AnalysisAug 19, 2023 H100842
H2330649Certificate of AnalysisAug 19, 2023 H100842
L2022212Certificate of AnalysisSep 21, 2022 H100842
L2022211Certificate of AnalysisSep 21, 2022 H100842
Propiedades químicas y físicas
SolubilidadSoluble in organic solvents. Insoluble in water.
Índice de refracción1.407-1.409
Punto de inflamación (°F)28.4 °F
Punto de inflamación (°C)-2℃
Punto de ebullición (°C)99-100°C
Punto de fusión (°C)-81℃
Peso molecular96.170 g/mol
XLogP33.000
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count3
Exact Mass96.0939 Da
Monoisotopic Mass96.0939 Da
Topological Polar Surface Area0.000 Ų
Heavy Atom Count7
Formal Charge0
Complexity63.400
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
Calculadoras de soluciones
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