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2-(5-bromo-3-fluoro-2-pyridyl)acetonitrile - 97%, high purity , CAS No.831203-14-6

COA

Grade & Purity:

≥97%

Cas Number: 831203-14-6
Molecular Weight: 215.02
PubChem CID: 53403676

In stock

Item Number

A634619

Grouped product items
SKU	Size	Availability	Price
A634619-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$42.90
A634619-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$84.90
A634619-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$141.90
A634619-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$211.90
A634619-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,061.90

Basic Description

Synonyms	SY323052 \| SCHEMBL3369691 \| 5-Bromo-3-fluoropyridine-2-acetonitrile \| DTXSID001277622 \| AKOS027255048 \| 2-(5-BROMO-3-FLUOROPYRIDIN-2-YL)ACETONITRILE \| MFCD15526566 \| 5-bromo-3-fluoro-2-pyridineacetonitrile \| BS-17564
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyridines and derivatives
    - Subclass Halopyridines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyridines and derivatives
Subclass	Halopyridines
Intermediate Tree Nodes	Not available
Direct Parent	Polyhalopyridines
Alternative Parents	Aryl fluorides Aryl bromides Heteroaromatic compounds Nitriles Azacyclic compounds Organopnictogen compounds Organofluorides Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Polyhalopyridine - Aryl bromide - Aryl fluoride - Aryl halide - Heteroaromatic compound - Carbonitrile - Nitrile - Azacycle - Organofluoride - Organobromide - Organohalogen compound - Organic nitrogen compound - Cyanide - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as polyhalopyridines. These are organic compounds containing a pyridine ring substituted at two or more positions by a halogen atom.
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-bromo-3-fluoropyridin-2-yl)acetonitrile
INCHI	InChI=1S/C7H4BrFN2/c8-5-3-6(9)7(1-2-10)11-4-5/h3-4H,1H2
InChIKey	WGJBIRWYBFXNFT-UHFFFAOYSA-N
Smiles	C1=C(C=NC(=C1F)CC#N)Br
Isomeric SMILES	C1=C(C=NC(=C1F)CC#N)Br
Alternate CAS	831203-14-6
PubChem CID	53403676
Molecular Weight	215.02

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	215.020 g/mol
XLogP3	1.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	213.954 Da
Monoisotopic Mass	213.954 Da
Topological Polar Surface Area	36.700 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	177.000
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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