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5-Bromo-3-(difluoromethyl)-2-fluoropyridine - 95%, high purity , CAS No.1805222-04-1

COA

Grade & Purity:

≥95%

Cas Number: 1805222-04-1
Molecular Weight: 225.99
EC Number: ‘868-111-4
PubChem CID: 118420208

In stock

Item Number

B587737

Grouped product items
SKU	Size	Availability	Price
B587737-100mg	100mg	3	$40.90
B587737-250mg	250mg	3	$83.90
B587737-1g	1g	2	$276.90

Basic Description

Synonyms	TQU0427 \| 1805222-04-1 \| 5-Bromo-3-(difluoromethyl)-2-fluoropyridine \| MFCD25477707 \| SY265816 \| SCHEMBL17143720 \| EN300-222767 \| BMPXRHMVKOFTSU-UHFFFAOYSA-N
Specifications & Purity	≥95%
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
    - Subclass Halopyridines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyridines and derivatives
Subclass	Halopyridines
Intermediate Tree Nodes	Not available
Direct Parent	Polyhalopyridines
Alternative Parents	2-halopyridines Heteroaromatic compounds Vinyl fluorides Vinyl bromides Propargyl-type 1,3-dipolar organic compounds Fluoroalkenes Bromoalkenes Azacyclic compounds Aldimines Organopnictogen compounds Organofluorides Organobromides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Polyhalopyridine - 2-halopyridine - Heteroaromatic compound - Azacycle - Fluoroalkene - Bromoalkene - Haloalkene - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Vinyl halide - Vinyl fluoride - Vinyl bromide - Aldimine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organobromide - Organohalogen compound - Imine - Alkyl halide - Alkyl fluoride - 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	5-bromo-3-(difluoromethyl)-2-fluoropyridine
INCHI	InChI=1S/C6H3BrF3N/c7-3-1-4(5(8)9)6(10)11-2-3/h1-2,5H
InChIKey	BMPXRHMVKOFTSU-UHFFFAOYSA-N
Smiles	C1=C(C=NC(=C1C(F)F)F)Br
Isomeric SMILES	C1=C(C=NC(=C1C(F)F)F)Br
Molecular Weight	225.99
Reaxy-Rn	28816995
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28816995&ln=

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

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

Analytical Chart:

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3 results found

Lot Number	Certificate Type	Date	Item
K2313194	Certificate of Analysis	Sep 27, 2023	B587737
K2313192	Certificate of Analysis	Sep 27, 2023	B587737
K2313193	Certificate of Analysis	Sep 27, 2023	B587737

Chemical and Physical Properties

Molecular Weight	225.990 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	224.94 Da
Monoisotopic Mass	224.94 Da
Topological Polar Surface Area	12.900 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	133.000
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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