5-Fluoropyrimidine
Basic information
- CAS
675-21-8- Standard SMILES
Fc1cncnc1- InChIKey
KSPDSMOWMQFPBL-UHFFFAOYSA-N- Molecular formula
- C4H3FN2
- Average molar mass
- 98.08 g/mol
- Monoisotopic mass
- 98.02802627
Names & identifiers
- Preferred name
- 5-Fluoropyrimidine
- IUPAC
- 5-fluoropyrimidine
- English name
- 5-Fluoropyrimidine
- Molecular formula
- C4H3FN2
- Molecular weight
- 98.08
Names & synonyms
5-Fluoropyrimidine675-21-8L36X4TD47CDTXSID80217851RefChem:102663DTXCID30140342Pyrimidine, 5-fluoro-C4H3FN2MFCD066582785-fluoro-pyrimidinePYRIMIDINE, 5--FLUORO-AC-453
Show more names
PyriMidine,5-fluoro-5-fluoro-1,6-dihydropyrimidine5-Fluoropyrimidinehydrochloride5-Fluoropyrimidine ISO 9001：2015 REACH
AKOS006346044PD132042Pyrimidine, 5-fluoro- (6CI,8CI,9CI)AM861235-Fluoropyrimidine HClA9048BB 0260992UNII-L36X4TD47C
Database identifiers
- CAS
675-21-8- PubChem CID
- 69605
- DTXSID
DTXSID80217851- UNII
- L36X4TD47C
- Nikkaji
- J535.238J
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 51.7
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
LogP-0.03
Physicochemical properties
- Boiling point
- 129 · 129.0±13.0 °C(Predicted)
- Density
- 1.224 · 1.224±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 1.62 · 1.62±0.10(Predicted)
- Appearance
- Colorless to light yellow Liquid
- InChI
- InChI=1S/C4H3FN2/c5-4-1-6-3-7-2-4/h1-3H
- InChIKey
- KSPDSMOWMQFPBL-UHFFFAOYSA-N
- SMILES
- C1=NC=C(F)C=N1
- CAS DataBase Reference
- 675 · 675-21-8(CAS DataBase Reference)
- FDA UNII
- 36 X4TD47C · L36X4TD47C
- Symbol(GHS)
- 2 · GHS02
- Signal word
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- ridadr
- 1993
- hs_code
- 2933599590
- Signal word
- Danger
- Symbol(GHS)
- GHS02
- hazard_class
- IRRITANT
- packing_group
- Ⅲ
- Hazard statements
- H225
- Precautionary statements
- P210-P403+P235
Suppliers
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Related reactions
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Compound notes
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