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2-Chloro-5-(trifluoromethoxy)pyridine - 95%, high purity , CAS No.1206972-45-3

COA

Grade & Purity:

≥95%

Cas Number: 1206972-45-3
Molecular Weight: 197.54
EC Number: 812-982-5
PubChem CID: 22000229
PubChem SID: 504769118

In stock

Item Number

C586589

Grouped product items
SKU	Size	Availability	Price
C586589-100mg	100mg	3	$40.90
C586589-250mg	250mg	3	$83.90
C586589-1g	1g	2	$274.90
C586589-5g	5g	1	$1,233.90

Basic Description

Synonyms	AKOS007929950 \| EN300-106309 \| FT-0757354 \| MFCD18257007 \| DTXSID40621374 \| 1206972-45-3 \| SY028165 \| SB21556 \| SCHEMBL2302955 \| BK-0714 \| A892126 \| 2-Chloro-5-(trifluoromethoxy)pyridine
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	2-halopyridines
Alternative Parents	Aryl chlorides Heteroaromatic compounds Trihalomethanes Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organochlorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	2-halopyridine - Aryl chloride - Aryl halide - Heteroaromatic compound - Trihalomethane - Azacycle - Alkyl fluoride - Hydrocarbon derivative - Halomethane - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as 2-halopyridines. These are organic compounds containing a pyridine ring substituted at the 2-position 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

Pubchem Sid	504769118
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504769118
IUPAC Name	2-chloro-5-(trifluoromethoxy)pyridine
INCHI	InChI=1S/C6H3ClF3NO/c7-5-2-1-4(3-11-5)12-6(8,9)10/h1-3H
InChIKey	PONLSAHALFQCNY-UHFFFAOYSA-N
Smiles	C1=CC(=NC=C1OC(F)(F)F)Cl
Isomeric SMILES	C1=CC(=NC=C1OC(F)(F)F)Cl
Alternate CAS	1206972-45-3
Molecular Weight	197.54
Reaxy-Rn	20138083
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20138083&ln=

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

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Analytical Chart:

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8 results found

Lot Number	Certificate Type	Date	Item
K2306041	Certificate of Analysis	Sep 22, 2023	C586589
K2306047	Certificate of Analysis	Sep 22, 2023	C586589
K2306042	Certificate of Analysis	Sep 22, 2023	C586589
K2306048	Certificate of Analysis	Sep 22, 2023	C586589
K2306043	Certificate of Analysis	Sep 22, 2023	C586589
K2306046	Certificate of Analysis	Sep 22, 2023	C586589
K2306045	Certificate of Analysis	Sep 22, 2023	C586589
K2306044	Certificate of Analysis	Sep 22, 2023	C586589

Chemical and Physical Properties

Molecular Weight	197.540 g/mol
XLogP3	3.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	196.986 Da
Monoisotopic Mass	196.986 Da
Topological Polar Surface Area	22.100 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	152.000
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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