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2-(5-bromopyridin-3-yl)acetonitrile - 97%, high purity , CAS No.39891-08-2

COA

Grade & Purity:

≥97%

Cas Number: 39891-08-2
Molecular Weight: 197.03
PubChem CID: 15005417

In stock

Item Number

B176385

Grouped product items
SKU	Size	Availability	Price
B176385-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$13.90
B176385-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$49.90
B176385-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$129.90
B176385-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$432.90

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Aromatic Ring Compounds (348) Pyridine compounds (423)

Basic Description

Synonyms	AS-39147 \| 5-BROMOPYRIDINE-3-ACETONITRILE \| AKOS015892079 \| EN300-216416 \| SCHEMBL1502549 \| (5-bromo-3-pyridinyl)acetonitrile \| SY097632 \| NGSJXAQHUJFHEF-UHFFFAOYSA-N \| CS-0052264 \| FT-0648570 \| 2-(5-bromanylpyridin-3-yl)ethanenitrile \| AMY17225 \| 2-(5-BR
Specifications & Purity	≥97%
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	Aryl bromides Heteroaromatic compounds Nitriles Azacyclic compounds Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyridine - Aryl halide - Aryl bromide - Heteroaromatic compound - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen 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

IUPAC Name	2-(5-bromopyridin-3-yl)acetonitrile
INCHI	InChI=1S/C7H5BrN2/c8-7-3-6(1-2-9)4-10-5-7/h3-5H,1H2
InChIKey	NGSJXAQHUJFHEF-UHFFFAOYSA-N
Smiles	C1=C(C=NC=C1Br)CC#N
Isomeric SMILES	C1=C(C=NC=C1Br)CC#N
Molecular Weight	197.03
Reaxy-Rn	386955
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=386955&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	197.030 g/mol
XLogP3	1.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	195.964 Da
Monoisotopic Mass	195.964 Da
Topological Polar Surface Area	36.700 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	149.000
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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