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Heptanenitrile - >98.0%(GC), high purity , CAS No.629-08-3

1 Citations

COA

Grade & Purity:

≥98%(GC)

Cas Number: 629-08-3
Molecular Weight: 111.19
Beilstein Registry Number: 2341
MDL number: MFCD00039503
PubChem CID: 12372
PubChem SID: 504752317

In stock

Item Number

H156965

Grouped product items
SKU	Size	Availability	Price
H156965-1ml	1ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$9.90
H156965-5ml	5ml	2	$22.90
H156965-25ml	25ml	3	$85.90

View related series

Nitrogenous compounds (2445) Non heterocyclic block (8163)

Basic Description

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
Specifications & Purity	≥98%(GC)
Shipped In	Normal
Product Description	The Heptanenitrile is used for producing 2, 3, 5, 6-tetrahexyl-pyrazine. As intermediates.

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	504752317
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504752317
IUPAC Name	heptanenitrile
INCHI	InChI=1S/C7H13N/c1-2-3-4-5-6-7-8/h2-6H2,1H3
InChIKey	SDAXRHHPNYTELL-UHFFFAOYSA-N
Smiles	CCCCCCC#N
Isomeric SMILES	CCCCCCC#N
Molecular Weight	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=

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.

6 results found

Lot Number	Certificate Type	Date	Item
K2414274	Certificate of Analysis	Jul 04, 2024	H156965
K2418067	Certificate of Analysis	Jul 14, 2023	H156965
H2303900	Certificate of Analysis	Jul 14, 2023	H156965
H2303897	Certificate of Analysis	Jul 14, 2023	H156965
H2303898	Certificate of Analysis	Jul 14, 2023	H156965
H2303905	Certificate of Analysis	Jul 14, 2023	H156965

Chemical and Physical Properties

Solubility	Slightly soluble in water.
Refractive Index	1.41
Flash Point(°F)	136°F
Flash Point(°C)	58°C(lit.)
Boil Point(°C)	183 °C
Melt Point(°C)	-64 °C
Molecular Weight	111.180 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	111.105 Da
Monoisotopic Mass	111.105 Da
Topological Polar Surface Area	23.800 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	77.600
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

Citations of This Product

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