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4-hydroxy-6-(trifluoromethyl)pyridine-3-carbaldehyde - 97%, high purity , CAS No.1196146-48-1

COA

Grade & Purity:

≥97%

Cas Number: 1196146-48-1
Molecular Weight: 191.11
MDL number: MFCD13189817
PubChem CID: 72212468

In stock

Item Number

H627258

Grouped product items
SKU	Size	Availability	Price
H627258-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$416.90
H627258-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$666.90
H627258-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,111.90
H627258-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,001.90

Basic Description

Synonyms	DTXSID201211581 \| 4-hydroxy-6-(trifluoromethyl)pyridine-3-carbaldehyde \| PS-18654 \| AB69180 \| D96940 \| 4-HYDROXY-6-(TRIFLUOROMETHYL)NICOTINALDEHYDE \| 1196146-48-1 \| MFCD13189817 \| 4-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbaldehyde \| SY323224 \| 3-Pyridin
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyridines and derivatives
    - Subclass Pyridine carboxaldehydes

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyridines and derivatives
Subclass	Pyridine carboxaldehydes
Intermediate Tree Nodes	Not available
Direct Parent	Pyridine carboxaldehydes
Alternative Parents	Dihydropyridines Aryl-aldehydes Vinylogous amides Heteroaromatic compounds Cyclic ketones Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	3-pyridine carboxaldehyde - Dihydropyridine - Aryl-aldehyde - Hydropyridine - Heteroaromatic compound - Vinylogous amide - Cyclic ketone - Azacycle - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Aldehyde - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyridine carboxaldehydes. These are aromatic compounds containing a pyridine ring which bears a carboxaldehyde group.
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	4-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbaldehyde
INCHI	InChI=1S/C7H4F3NO2/c8-7(9,10)6-1-5(13)4(3-12)2-11-6/h1-3H,(H,11,13)
InChIKey	ZHHAIRYRDHGPBE-UHFFFAOYSA-N
Smiles	C1=C(NC=C(C1=O)C=O)C(F)(F)F
Isomeric SMILES	C1=C(NC=C(C1=O)C=O)C(F)(F)F
Alternate CAS	1196146-48-1
PubChem CID	72212468
Molecular Weight	191.11

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	191.110 g/mol
XLogP3	0.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Exact Mass	191.019 Da
Monoisotopic Mass	191.019 Da
Topological Polar Surface Area	46.200 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	314.000
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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