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2802-61-1

2802-61-1 Structure

2802-61-1 Structure
IdentificationMore
[Name]

2,4-DIFLUOROPYRIMIDINE
[CAS]

2802-61-1
[Synonyms]

2,4-DIFLUOROPYRIMIDINE
Pyrimidine, 2,4-difluoro-(6CI,8CI,9CI)
2,4-Difluoropyrimidine 98%
2,4-Difluoropyrimidine98%
[EINECS(EC#)]

631-074-8
[Molecular Formula]

C4H2F2N2
[MDL Number]

MFCD04972830
[Molecular Weight]

116.07
[MOL File]

2802-61-1.mol
Chemical PropertiesBack Directory
[Boiling point ]

118-120 °C
[density ]

1.359 g/mL at 25 °C
[refractive index ]

n20/D 1.432
[Fp ]

106 °F
[storage temp. ]

Storage temp. 2-8°C
[form ]

liquid
[pka]

-2.52±0.20(Predicted)
[color ]

Clear, colourless
[InChI]

1S/C4H2F2N2/c5-3-1-2-7-4(6)8-3/h1-2H
[InChIKey]

JZSYSXZDIQUOGP-UHFFFAOYSA-N
[SMILES]

Fc1ccnc(F)n1
[CAS DataBase Reference]

2802-61-1(CAS DataBase Reference)
Questions And AnswerBack Directory
[Synthesis]

Crown ethers are able to enhance the performance of KF in two ways. Firstly, they complex the potassium cation making a better fluoride source and secondly they increase the solubility of KF in the solvent. KF with a catalytic amount of dicyclohexano-18-crown-6 in tetraglyme converted 2,4-dichloropyrimidine into 2,4-difluoropyrimidine.
Safety DataBack Directory
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

R10:Flammable.
R22:Harmful if swallowed.
R37/38:Irritating to respiratory system and skin .
R41:Risk of serious damage to eyes.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S39:Wear eye/face protection .
[RIDADR ]

UN 1993 3/PG 3
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HazardClass ]

3
[PackingGroup ]

III
[HS Code ]

29335990
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Dam. 1
Flam. Liq. 3
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

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.

[Synthesis Reference(s)]

Journal of Heterocyclic Chemistry, 22, p. 149, 1985 DOI: 10.1002/jhet.5570220137
Spectrum DetailBack Directory
[Spectrum Detail]

2,4-DIFLUOROPYRIMIDINE(2802-61-1)1HNMR
2,4-DIFLUOROPYRIMIDINE(2802-61-1)19FNMR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

2,4-Difluoropyrimidine, 98%(2802-61-1)
[Sigma Aldrich]

2802-61-1(sigmaaldrich)
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