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Methyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetate - 95%, high purity , CAS No.885949-63-3

COA

Grade & Purity:

≥95%

Cas Number: 885949-63-3
Molecular Weight: 253.6
PubChem CID: 2763726

In stock

Item Number

M187701

Grouped product items
SKU	Size	Availability	Price	Qty
M187701-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,596.90

Discover Methyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetate by Aladdin Scientific in 95% for only $2,596.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	885949-63-3 \| Methyl 2-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)acetate \| methyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetate \| methyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]acetate \| SCHEMBL20972172 \| DTXSID20377120 \| Methyl2-(3-chloro-5-(trifluoromethy
Specifications & Purity	≥95%
Storage Temp	Room temperature
Shipped In	Normal

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 chlorides Methyl esters Heteroaromatic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Aryl chloride - Aryl halide - Pyridine - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Alkyl fluoride - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - 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	methyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]acetate
INCHI	InChI=1S/C9H7ClF3NO2/c1-16-8(15)3-7-6(10)2-5(4-14-7)9(11,12)13/h2,4H,3H2,1H3
InChIKey	KORSBDKODWUAHP-UHFFFAOYSA-N
Smiles	COC(=O)CC1=C(C=C(C=N1)C(F)(F)F)Cl
Isomeric SMILES	COC(=O)CC1=C(C=C(C=N1)C(F)(F)F)Cl
Molecular Weight	253.6
Reaxy-Rn	34479869
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=34479869&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	253.600 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	253.012 Da
Monoisotopic Mass	253.012 Da
Topological Polar Surface Area	39.200 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	260.000
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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