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2,4-Difluoropyrimidine - 97%, high purity , CAS No.2802-61-1

COA

Grade & Purity:

≥97%

Cas Number: 2802-61-1
Molecular Weight: 116.07
MDL number: MFCD04972830
PubChem CID: 137716
PubChem SID: 488187964

In stock

Item Number

D169237

Grouped product items
SKU	Size	Availability	Price
D169237-100mg	100mg	3	$43.90
D169237-500mg	500mg	5	$131.90
D169237-1g	1g	3	$235.90

Basic Description

Synonyms	2,4-Difluoropyrimidine \| 2802-61-1 \| 2,4-Difluoro-pyrimidine \| Pyrimidine,2,4-difluoro- \| Pyrimidine, 2,4-difluoro- \| Pyrimidine, difluoro- \| MFCD04972830 \| difluropyrimidine \| NSC331813 \| SCHEMBL138862 \| 2,4-Difluoropyrimidine, 97% \| AMY136 \| DTXSID20182296 \| BCP07954 \| BBL100529 \| S
Specifications & Purity	≥97%
Storage Temp	Argon charged
Shipped In	Normal
Product Description	Application： 2,4-Difluoropyrimidine can be used as a starting material to synthesize: ·3-Pyrimidin-4-yl-oxazolidin-2-one derivatives as mutant isocitrate dehydrogenase (IDH1) inhibitors. ·N,N′-(1,4-phenylenebis(methylene))bis(2-fluoropyrimidin-4-amine) as chemokine receptor type 4 antagonists.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazines
    - Subclass Pyrimidines and pyrimidine derivatives
      - Level5 Halopyrimidines
        Level6 2-halopyrimidines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazines
Subclass	Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes	Halopyrimidines
Direct Parent	2-halopyrimidines
Alternative Parents	Aryl fluorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	2-halopyrimidine - Aryl halide - Aryl fluoride - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as 2-halopyrimidines. These are aromatic compounds containing a pyrimidine ring substituted at the 2-position with a halogen atom.
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

Pubchem Sid	488187964
IUPAC Name	2,4-difluoropyrimidine
INCHI	InChI=1S/C4H2F2N2/c5-3-1-2-7-4(6)8-3/h1-2H
InChIKey	JZSYSXZDIQUOGP-UHFFFAOYSA-N
Smiles	C1=CN=C(N=C1F)F
Isomeric SMILES	C1=CN=C(N=C1F)F
WGK Germany	3
Molecular Weight	116.07
Reaxy-Rn	742196
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=742196&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

5 results found

Lot Number	Certificate Type	Date	Item
B2309831	Certificate of Analysis	Dec 03, 2022	D169237
B2309633	Certificate of Analysis	Dec 03, 2022	D169237
B2309461	Certificate of Analysis	Dec 03, 2022	D169237
B2309599	Certificate of Analysis	Dec 03, 2022	D169237
B2309644	Certificate of Analysis	Dec 03, 2022	D169237

Chemical and Physical Properties

Sensitivity	Moisture sensitive
Refractive Index	20/D 1.432
Flash Point(°F)	105.8 °F
Flash Point(°C)	41 °C
Boil Point(°C)	118-120 °C
Molecular Weight	116.070 g/mol
XLogP3	1.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	116.019 Da
Monoisotopic Mass	116.019 Da
Topological Polar Surface Area	25.800 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	78.400
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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