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3-Nitro-6-(trifluoromethyl)pyridine-2,4-diol - 98%, high purity , CAS No.947144-26-5

COA

Grade & Purity:

≥98%

Cas Number: 947144-26-5
Molecular Weight: 224.09
PubChem CID: 54726807

In stock

Item Number

N196015

Grouped product items
SKU	Size	Availability	Price	Qty
N196015-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$42.90
N196015-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$141.90

Discover 3-Nitro-6-(trifluoromethyl)pyridine-2,4-diol by Aladdin Scientific in 98% for only $42.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	3-Nitro-6-(trifluoromethyl)pyridine-2,4-diol \| 947144-26-5 \| 4-hydroxy-3-nitro-6-(trifluoromethyl)-1H-pyridin-2-one \| C6H3F3N2O4 \| SCHEMBL2567845 \| DTXSID90716325 \| XMB14426 \| MFCD14706616 \| AKOS016000629 \| CS-W004171 \| DS-13268 \| 3-Nitro-6-trifluoromethyl-pyridine-2,4-diol \| S1
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic 1,3-dipolar compounds
  - Class Allyl-type 1,3-dipolar organic compounds
    - Subclass Organic nitro compounds
      - Level5 C-nitro compounds
        Level6 Nitroaromatic compounds

Kingdom	Organic compounds
Superclass	Organic 1,3-dipolar compounds
Class	Allyl-type 1,3-dipolar organic compounds
Subclass	Organic nitro compounds
Intermediate Tree Nodes	C-nitro compounds
Direct Parent	Nitroaromatic compounds
Alternative Parents	Pyridinones Dihydropyridines Hydroxypyridines Vinylogous acids Heteroaromatic compounds Lactams Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic oxides Organofluorides Hydrocarbon derivatives Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Alkyl fluorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Nitroaromatic compound - Dihydropyridine - Hydroxypyridine - Pyridinone - Hydropyridine - Pyridine - Heteroaromatic compound - Vinylogous acid - Lactam - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Alkyl fluoride - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organic oxide - Organohalogen compound - 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 nitroaromatic compounds. These are c-nitro compounds where the nitro group is C-substituted with an aromatic 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-hydroxy-3-nitro-6-(trifluoromethyl)-1H-pyridin-2-one
INCHI	InChI=1S/C6H3F3N2O4/c7-6(8,9)3-1-2(12)4(11(14)15)5(13)10-3/h1H,(H2,10,12,13)
InChIKey	RNRDDIRUBACPKU-UHFFFAOYSA-N
Smiles	C1=C(NC(=O)C(=C1O)[N+](=O)[O-])C(F)(F)F
Isomeric SMILES	C1=C(NC(=O)C(=C1O)[N+](=O)[O-])C(F)(F)F
Molecular Weight	224.09
Reaxy-Rn	22615896
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22615896&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	224.090 g/mol
XLogP3	1.100
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	0
Exact Mass	224.004 Da
Monoisotopic Mass	224.004 Da
Topological Polar Surface Area	95.200 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	390.000
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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