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2-(pyridazin-4-yl)acetonitrile - 97%, high purity , CAS No.1142927-95-4

COA

Grade & Purity:

≥97%

Cas Number: 1142927-95-4
Molecular Weight: 119.127
PubChem CID: 57415826

In stock

Item Number

P172136

Grouped product items
SKU	Size	Availability	Price	Qty
P172136-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,919.90

Basic Description

Synonyms	2-(PYRIDAZIN-4-YL)ACETONITRILE \| 1142927-95-4 \| 4-PYRIDAZINEACETONITRILE \| 2-pyridazin-4-ylacetonitrile \| MFCD17015867 \| (Pyridazin-4-yl)acetonitrile \| 2-(4-Pyridazinyl)acetonitrile \| SCHEMBL3675587 \| DTXSID60725520 \| AKOS015950025 \| PB25603 \| AS-33431 \| SY097581 \| CS-0052210 \| FT-0
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazines
    - Subclass Pyridazines and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazines
Subclass	Pyridazines and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Pyridazines and derivatives
Alternative Parents	Heteroaromatic compounds Nitriles Azacyclic compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyridazine - Heteroaromatic compound - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyridazines and derivatives. These are compounds containing a pyridazine ring, which is a six-member aromatic ring containing two nitrogen atoms at positions 1 and 2, and four 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

IUPAC Name	2-pyridazin-4-ylacetonitrile
INCHI	InChI=1S/C6H5N3/c7-3-1-6-2-4-8-9-5-6/h2,4-5H,1H2
InChIKey	TVQXLINRIUVLHP-UHFFFAOYSA-N
Smiles	C1=CN=NC=C1CC#N
Isomeric SMILES	C1=CN=NC=C1CC#N
PubChem CID	57415826
Molecular Weight	119.127

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	119.120 g/mol
XLogP3	-1.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	119.048 Da
Monoisotopic Mass	119.048 Da
Topological Polar Surface Area	49.600 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	124.000
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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