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2-(trifluoromethyl)pyrimidine-4,6-diol - 97%, high purity , CAS No.672-47-9

COA

Grade & Purity:

≥97%

Cas Number: 672-47-9
Molecular Weight: 180.09
EC Number: 691-192-0
PubChem CID: 243103

In stock

Item Number

P638337

Grouped product items
SKU	Size	Availability	Price
P638337-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$13.90
P638337-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$32.90
P638337-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$54.90
P638337-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$162.90

View related series

Halogenated heterocyclic block (1171) Pyrimidine compounds (125)

Basic Description

Synonyms	2-Trifluoromethyl-pyrimidine-4,6-diol \| 4,6-DIHYDROXY-2-(TRIFLUOROMETHYL)PYRIMIDINE \| 4-hydroxy-2-(trifluoromethyl)-1H-pyrimidin-6-one
Specifications & Purity	≥97%
Storage Temp	Store at -20°C,Argon charged
Shipped In	Ice chest + Ice pads 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 Diazines
    - Subclass Pyrimidines and pyrimidine derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazines
Subclass	Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Hydroxypyrimidines
Alternative Parents	Pyrimidones Hydropyrimidines Vinylogous acids Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyrimidone - Hydroxypyrimidine - Hydropyrimidine - Vinylogous acid - Heteroaromatic compound - Lactam - Azacycle - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Organic nitrogen compound - Alkyl halide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as hydroxypyrimidines. These are organic compounds containing a hydroxyl group attached to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
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-2-(trifluoromethyl)-1H-pyrimidin-6-one
INCHI	InChI=1S/C5H3F3N2O2/c6-5(7,8)4-9-2(11)1-3(12)10-4/h1H,(H2,9,10,11,12)
InChIKey	AMGBKPNVGVAFEN-UHFFFAOYSA-N
Smiles	C1=C(N=C(NC1=O)C(F)(F)F)O
Isomeric SMILES	C1=C(N=C(NC1=O)C(F)(F)F)O
Alternate CAS	672-47-9
PubChem CID	243103
NSC Number	52339
Molecular Weight	180.09

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	180.080 g/mol
XLogP3	0.200
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	0
Exact Mass	180.015 Da
Monoisotopic Mass	180.015 Da
Topological Polar Surface Area	61.700 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	279.000
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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