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Nicotinonitrile - >98.0%(GC), high purity , CAS No.100-54-9

9 Citations

COA

Grade & Purity:

≥98%(GC)

Cas Number: 100-54-9
Molecular Weight: 104.11
Beilstein Registry Number: 107711
EC Number: 202-863-0
MDL number: MFCD00006372
PubChem CID: 79
PubChem SID: 504750346

In stock

Item Number

N104919

Grouped product items
SKU	Size	Availability	Price
N104919-25g	25g	4	$9.90
N104919-100g	100g	3	$17.90
N104919-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$66.90

View related series

Halogen free heterocyclic block (1207) Pyridines (1259)

Basic Description

Synonyms	3-Pyridyl cyanide \| NCGC00248004-02 \| NSC17558 \| NSC-17558 \| 3-Pyridinecarboxylic acid, nitrile \| CHEBI:86556 \| EC 202-863-0 \| SB52234 \| 3-cyanopyridine \| 3-Pyridinecarbonitrile, 98% \| Nicotinonitrile \| AC-2424 \| AM81277 \| BRN 0107711 \| DTXSID1026665 \| In
Specifications & Purity	≥98%(GC)
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyridines and derivatives
    - Subclass 3-pyridinecarbonitriles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyridines and derivatives
Subclass	3-pyridinecarbonitriles
Intermediate Tree Nodes	Not available
Direct Parent	3-pyridinecarbonitriles
Alternative Parents	Heteroaromatic compounds Nitriles Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	3-pyridinecarbonitrile - Heteroaromatic compound - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as 3-pyridinecarbonitriles. These are organic compounds containing a pyridine ring substituted at the 3-position by a carbonitrile group.
External Descriptors	a nitrile
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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504750346
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504750346
IUPAC Name	pyridine-3-carbonitrile
INCHI	InChI=1S/C6H4N2/c7-4-6-2-1-3-8-5-6/h1-3,5H
InChIKey	GZPHSAQLYPIAIN-UHFFFAOYSA-N
Smiles	C1=CC(=CN=C1)C#N
Isomeric SMILES	C1=CC(=CN=C1)C#N
WGK Germany	3
RTECS	QT3030000
Molecular Weight	104.11
Beilstein	107711
Reaxy-Rn	107711
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=107711&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.

13 results found

Lot Number	Certificate Type	Date	Item
G2405266	Certificate of Analysis	Apr 26, 2024	N104919
G2405267	Certificate of Analysis	Apr 26, 2024	N104919
G2405268	Certificate of Analysis	Apr 26, 2024	N104919
F2017067	Certificate of Analysis	Apr 03, 2024	N104919
A2309414	Certificate of Analysis	Jan 12, 2023	N104919
G2216454	Certificate of Analysis	Jun 18, 2022	N104919
G2216453	Certificate of Analysis	Jun 18, 2022	N104919
G2216587	Certificate of Analysis	Jun 18, 2022	N104919
G2216586	Certificate of Analysis	Jun 18, 2022	N104919
C2328150	Certificate of Analysis	Jun 18, 2022	N104919
E2417067	Certificate of Analysis	Jun 18, 2022	N104919
J2410643	Certificate of Analysis	Jun 18, 2022	N104919
B2219092	Certificate of Analysis	Feb 25, 2022	N104919

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Chemical and Physical Properties

Solubility	Easily soluble in water, soluble in ethanol, ether, and benzene.
Sensitivity	Air & Moisture & Heat Sensitive
Flash Point(°F)	190.4 °F
Flash Point(°C)	84℃
Boil Point(°C)	201°C
Melt Point(°C)	47-51°C
Molecular Weight	104.110 g/mol
XLogP3	0.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	104.037 Da
Monoisotopic Mass	104.037 Da
Topological Polar Surface Area	36.700 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	111.000
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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