Heptanenitrile - ≥98%(GC) , CAS No.629-08-3

CAS: 629-08-3 Cat. No.: H156965 Summenformel: C7H13N Molekulargewicht: 111.19 Beilstein Registry Number: 2341 EG-Nummer: 211-071-4
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GRADE & PURITY ≥98%(GC)
Synonyms
1-Heptanonitrile | D90969 | NCGC00248675-01 | EINECS 211-071-4 | Heptyl nitrile | NCGC00258080-01 | AKOS009157585 | 1-Cyanohexane | Hexyl cyanide | DTXSID0021599 | UA4Z3QT98A | EN300-99427 | SDAXRHHPNYTELL-UHFFFAOYSA- | n-Hexyl cyanide | H0883 | J-802032
Storage
Room temperature
Shipped In
FedEx DG Service
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Size
Deutschland (EU)
USA*
Price
Qty
1ml
H156965-1ml
—
4 Auf Lager
12,06€
5ml
H156965-5ml
—
1 Auf Lager
48,51€
25ml
H156965-25ml
—
2 Auf Lager
128,34€
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Why this grade

≥98%(GC) 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.

Übersicht

The Heptanenitrile is used for producing 2, 3, 5, 6-tetrahexyl-pyrazine. As intermediates.

Specifications

Synonyme
1-Heptanonitrile | D90969 | NCGC00248675-01 | EINECS 211-071-4 | Heptyl nitrile | NCGC00258080-01 | AKOS009157585 | 1-Cyanohexane | Hexyl cyanide | DTXSID0021599 | UA4Z3QT98A | EN300-99427 | SDAXRHHPNYTELL-UHFFFAOYSA- | n-Hexyl cyanide | H0883 | J-802032
Spezifikationen & Reinheit
≥98%(GC)
Storage
Room temperature
Verschickt in
FedEx DG Service
Reinheit
≥98%(GC)
Namen und Kennungen
Pubchem Sid
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504752317
Kanonisches Lächeln
CCCCCCC#N
IUPAC Name
heptanenitrile
InChIKey
SDAXRHHPNYTELL-UHFFFAOYSA-N
INCHI
1S/C7H13N/c1-2-3-4-5-6-7-8/h2-6H2,1H3
Isomere SMILES
CCCCCCC#N
Molekulargewicht
111.19
Beilstein
2341
Reaxy-Rn
1740405
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1740405&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
SuperclassOrganic nitrogen compounds
KlasseOrganonitrogen compounds
SubclassOrganic cyanides
Intermediate Tree Nodes Not available
Direct ParentNitriles
Alternative Parents Organopnictogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAliphatic acyclic compounds
Substituents Nitrile - Carbonitrile - Organopnictogen compound - Hydrocarbon derivative - Aliphatic acyclic compound
BeschreibungThis compound belongs to the class of organic compounds known as nitriles. These are compounds having the structure RC#N; thus C-substituted derivatives of hydrocyanic acid, HC#N.
External Descriptors Not available
3D-Struktur
Interaktives chemisches Strukturmodell





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

8 results found

Lot NumberCertificate TypeDatumArtikel
K2414274Certificate of AnalysisJul 04, 2024 H156965
G2608071Certificate of AnalysisJul 14, 2023 H156965
G2613044Certificate of AnalysisJul 14, 2023 H156965
H2303897Certificate of AnalysisJul 14, 2023 H156965
H2303898Certificate of AnalysisJul 14, 2023 H156965
H2303900Certificate of AnalysisJul 14, 2023 H156965
H2303905Certificate of AnalysisJul 14, 2023 H156965
K2418067Certificate of AnalysisJul 14, 2023 H156965
Chemische und physikalische Eigenschaften
LöslichkeitSlightly soluble in water.
Brechungsindex1.41
Flammpunkt (°F)136°F
Flammpunkt (°C)58°C(lit.)
Siedepunkt (°C)183 °C
Schmelzpunkt (°C)-64 °C
Molekulargewicht111.180 g/mol
XLogP32.200
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass111.105 Da
Monoisotopic Mass111.105 Da
Topological Polar Surface Area23.800 Ų
Heavy Atom Count8
Formal Charge0
Complexity77.600
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
Lösungsrechner
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