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3-Bromo-5-fluoroisonicotinonitrile - 97%, high purity , CAS No.1353636-66-4

COA

Grade & Purity:

≥97%

Cas Number: 1353636-66-4
Molecular Weight: 201
PubChem CID: 71607295

In stock

Item Number

B190672

Grouped product items
SKU	Size	Availability	Price	Qty
B190672-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$24.90
B190672-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$81.90

Basic Description

Synonyms	3-Bromo-5-fluoroisonicotinonitrile \| 1353636-66-4 \| 3-bromo-5-fluoropyridine-4-carbonitrile \| MFCD20524846 \| DTXSID10856252 \| AKOS016014974 \| DS-7109 \| SB52237 \| SY111537 \| CS-0042829 \| EN300-221505 \| A887668 \| Z1322794458
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 Organofluorides Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Polyhalopyridine - Aryl bromide - Aryl fluoride - Aryl halide - Heteroaromatic compound - Carbonitrile - Nitrile - Azacycle - Organobromide - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organofluoride - Organonitrogen compound - Cyanide - 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	3-bromo-5-fluoropyridine-4-carbonitrile
INCHI	InChI=1S/C6H2BrFN2/c7-5-2-10-3-6(8)4(5)1-9/h2-3H
InChIKey	CBFQLJNXSVDWCL-UHFFFAOYSA-N
Smiles	C1=C(C(=C(C=N1)Br)C#N)F
Isomeric SMILES	C1=C(C(=C(C=N1)Br)C#N)F
Molecular Weight	201
Reaxy-Rn	37351426
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=37351426&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	201.000 g/mol
XLogP3	1.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	199.939 Da
Monoisotopic Mass	199.939 Da
Topological Polar Surface Area	36.700 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	164.000
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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