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3-Chloro-5-(trifluoromethyl)pyridine-2-carboxylic acid - ≥98%, high purity , CAS No.80194-18-9

COA

Grade & Purity:

≥98%

Cas Number: 80194-18-9
Molecular Weight: 225.55
PubChem CID: 2821908

In stock

Item Number

C195119

Grouped product items
SKU	Size	Availability	Price	Qty
C195119-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$613.90
C195119-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,855.90

Discover 3-Chloro-5-(trifluoromethyl)pyridine-2-carboxylic acid by Aladdin Scientific in ≥98% for only $613.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	80194-68-9 \| 3-chloro-5-(trifluoromethyl)pyridine-2-carboxylic Acid \| 3-Chloro-5-(trifluoromethyl)picolinic acid \| 80194-18-9 \| 3-Chloro-5-trifluoromethylpyridine-2-carboxylic acid \| 2-PYRIDINECARBOXYLIC ACID, 3-CHLORO-5-(TRIFLUOROMETHYL)- \| 3-Chloro-5-trifluoromethy
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyridines and derivatives
    - Subclass Pyridinecarboxylic acids and derivatives
      - Level5 Pyridinecarboxylic acids
        Level6 Pyridine-2-carboxylic acids
        Level7 5-alkyl-2-carboxypyrimidines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyridines and derivatives
Subclass	Pyridinecarboxylic acids and derivatives
Intermediate Tree Nodes	Pyridinecarboxylic acids - Pyridine-2-carboxylic acids
Direct Parent	5-alkyl-2-carboxypyrimidines
Alternative Parents	Aryl chlorides Vinylogous halides Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	5-alkyl-2-carboxypyrimidine - Aryl chloride - Aryl halide - Heteroaromatic compound - Vinylogous halide - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Alkyl fluoride - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as 5-alkyl-2-carboxypyrimidines. These are pyrimidine-2-carboxylic acids that carry an alkyl group at the 5-position of the pyridine ring.
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-chloro-5-(trifluoromethyl)pyridine-2-carboxylic acid
INCHI	InChI=1S/C7H3ClF3NO2/c8-4-1-3(7(9,10)11)2-12-5(4)6(13)14/h1-2H,(H,13,14)
InChIKey	HXRMCZBDTDCCOP-UHFFFAOYSA-N
Smiles	C1=C(C=NC(=C1Cl)C(=O)O)C(F)(F)F
Isomeric SMILES	C1=C(C=NC(=C1Cl)C(=O)O)C(F)(F)F
Molecular Weight	225.55
Reaxy-Rn	13340879
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13340879&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	225.550 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Exact Mass	224.98 Da
Monoisotopic Mass	224.98 Da
Topological Polar Surface Area	50.200 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	233.000
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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