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Heptadecanonitrile - >95.0%(GC), high purity , CAS No.5399-02-0

COA

Grade & Purity:

≥95%(GC)

Cas Number: 5399-02-0
Molecular Weight: 251.46
MDL number: MFCD00042635
PubChem CID: 79388
PubChem SID: 488185722

In stock

Item Number

H156944

Grouped product items
SKU	Size	Availability	Price	Qty
H156944-1g	1g	9	$11.90
H156944-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$39.90

View related series

Nitrogenous compounds (2445) Non heterocyclic block (8163)

Basic Description

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)
Shipped In	Normal
Product Description	application： Heptadecanenitrile gets adsorbed on gold and copper surface from hexane or acetone solution and adsorbed layers are investigated by reflection infrared spectroscopy.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic nitrogen compounds
  - Class Organonitrogen compounds
    - Subclass Organic cyanides

Kingdom	Organic compounds
Superclass	Organic nitrogen compounds
Class	Organonitrogen compounds
Subclass	Organic cyanides
Intermediate Tree Nodes	Not available
Direct Parent	Nitriles
Alternative Parents	Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Nitrile - Carbonitrile - Organopnictogen compound - Hydrocarbon derivative - Aliphatic acyclic compound
Description	This 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
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

Names and Identifiers

Pubchem Sid	488185722
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488185722
IUPAC Name	heptadecanenitrile
INCHI	InChI=1S/C17H33N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h2-16H2,1H3
InChIKey	ZXPWFWWSCFIFII-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCCCCCCC#N
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=

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

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

Analytical Chart:

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Lot Number	Certificate Type	Date	Item
D23142453	Certificate of Analysis	Sep 02, 2021	H156944

Chemical and Physical Properties

Boil Point(°C)	208 °C
Melt Point(°C)	34 °C
Molecular Weight	251.500 g/mol
XLogP3	7.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	14
Exact Mass	251.261 Da
Monoisotopic Mass	251.261 Da
Topological Polar Surface Area	23.800 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	189.000
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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