Heptadecanonitrile - ≥95%(GC) , CAS No.5399-02-0

CAS: 5399-02-0 Cat. No.: H156944 Molecular Weight: 251.46 EC Number: 226-432-1
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GRADE & PURITY ≥95%(GC)
Synonyms
Cetyl cyanide | Heptadecanoic acid nitrile | 1-Cyanohexadecane | Heptadecanenitrile, >=95.0% (GC) | Heptadecanonitrile | n-Heptadecanonitrile | heptadecannitril | EC 268-079-6 | EINECS 226-432-1 | DTXSID90873467 | D90904 | Hexadecyl cyanide | Margaronitri
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1g
H156944-1g
8
$11.90
5g
H156944-5g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$39.90
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Why this grade

≥95%(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

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.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

application:

Heptadecanenitrile gets adsorbed on gold and copper surface from hexane or acetone solution and adsorbed layers are investigated by reflection infrared spectroscopy.

Specifications

Synonyms
Cetyl cyanide | Heptadecanoic acid nitrile | 1-Cyanohexadecane | Heptadecanenitrile, >=95.0% (GC) | Heptadecanonitrile | n-Heptadecanonitrile | heptadecannitril | EC 268-079-6 | EINECS 226-432-1 | DTXSID90873467 | D90904 | Hexadecyl cyanide | Margaronitri
Specifications & Purity
≥95%(GC)
Storage
Room temperature
Shipped In
Normal
Purity
≥95%(GC)
Names and Identifiers
Pubchem Sid488185722
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488185722
Canonical SmilesCCCCCCCCCCCCCCCCC#N
IUPAC Nameheptadecanenitrile
InChIKeyZXPWFWWSCFIFII-UHFFFAOYSA-N
INCHI1S/C17H33N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h2-16H2,1H3
Isomeric SMILES CCCCCCCCCCCCCCCCC#N
WGK Germany 3
Molecular Weight 251.46
Reaxy-Rn 1775016
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1775016&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
ClassOrganonitrogen 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
DescriptionThis 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 Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
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.

3 results found

Lot NumberCertificate TypeDateItem
J2128219Certificate of AnalysisAug 11, 2025 H156944
J2129038Certificate of AnalysisAug 11, 2025 H156944
D23142453Certificate of AnalysisSep 02, 2021 H156944
Chemical and Physical Properties
Boil Point(°C)208 °C
Melt Point(°C)34 °C
Molecular Weight251.500 g/mol
XLogP37.500
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count14
Exact Mass251.261 Da
Monoisotopic Mass251.261 Da
Topological Polar Surface Area23.800 Ų
Heavy Atom Count18
Formal Charge0
Complexity189.000
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
Solution Calculators
Reviews

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