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3-pyridylacetonitrile - ≥98.0%(GC), high purity , CAS No.6443-85-2

COA

Grade & Purity:

≥98%(GC)

Cas Number: 6443-85-2
Molecular Weight: 118.14
Beilstein Registry Number: 22(5)2,317
MDL number: MFCD00006406
PubChem CID: 80923
PubChem SID: 504755486

In stock

Item Number

P137656

Grouped product items
SKU	Size	Availability	Price
P137656-1g	1g	2	$19.90
P137656-5g	5g	3	$74.90
P137656-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$224.90
P137656-100g	100g	2	$807.90

View related series

Halogen free heterocyclic block (1207) Pyridines (1259)

Basic Description

Synonyms	EINECS 229-241-1 \| SCHEMBL254758 \| Z239871646 \| NSC 83226 \| 2-(3-Pyridyl)acetonitrile \| 2-(pyridin-3-yl)acetonitrile \| 2LLH6CEB40 \| BB 0254178 \| MFCD00006406 \| 3-pyridyl acetonitrile \| 3-Pyridylacetonitrile \| AS-16040 \| Methoctramine (tetrahydrochloride)
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

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyridines and derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Pyridines and derivatives
Alternative Parents	Heteroaromatic compounds Nitriles Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyridine - 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 pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.
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	504755486
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504755486
IUPAC Name	2-pyridin-3-ylacetonitrile
INCHI	InChI=1S/C7H6N2/c8-4-3-7-2-1-5-9-6-7/h1-2,5-6H,3H2
InChIKey	OIPHWUPMXHQWLR-UHFFFAOYSA-N
Smiles	C1=CC(=CN=C1)CC#N
Isomeric SMILES	C1=CC(=CN=C1)CC#N
WGK Germany	3
PubChem CID	80923
Molecular Weight	118.14
Beilstein	22(5)2,317
Reaxy-Rn	111292

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

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

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
B2302907	Certificate of Analysis	Nov 05, 2024	P137656
B2302514	Certificate of Analysis	Nov 05, 2024	P137656
B23021080	Certificate of Analysis	Nov 05, 2024	P137656
E1719068	Certificate of Analysis	Nov 11, 2022	P137656
F2215489	Certificate of Analysis	Apr 02, 2022	P137656
F2215490	Certificate of Analysis	Apr 02, 2022	P137656

Chemical and Physical Properties

Solubility	Soluble in alcohol, ether, ketone. Insoluble in water.
Sensitivity	air sensitive
Refractive Index	1.53
Flash Point(°F)	208.4 °F
Flash Point(°C)	98°C(lit.)
Boil Point(°C)	146 °C/20 mmHg
Molecular Weight	118.140 g/mol
XLogP3	0.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	118.053 Da
Monoisotopic Mass	118.053 Da
Topological Polar Surface Area	36.700 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	122.000
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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