Basic information
- Name:
6-Ethyl-5-fluoro-pyrimidin-4-ol
- CAS No.:
137234-87-8
- Molecular Structure:
- Formula:
- C6H7FN2O
- Molecular Weight:
- 142.13
- Synonyms:
- 4(1H)-Pyrimidinone,6-ethyl-5-fluoro- (9CI);6-Ethyl-5-fluoro-4-hydroxypyrimidine;6-Ethyl-5-fluoropyrimidin-4(3H)-one;4(3H)-Pyrimidinone,6-ethyl-5-fluoro-;
- EINECS:
- 422-460-5
- Density:
- 1.302 g/cm3
- Boiling Point:
- 180.724 ºC at 760 mmHg
- Flash Point:
- 63.1 ºC
- Appearance:
- white or off white solid
- Hazard Symbols:
Xi,
N,
Xn- Risk Codes:
- 22-50/53
- Safety Description:
- 60-61 Details
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Chemistry
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IUPAC Name: 6-Ethyl-5-fluoro-1H-pyrimidin-4-one
Molecular Formula: C6H7FN2O
Molecular Weight: 142.13 g/mol
Canonical SMILES: CCC1=C(C(=O)N=CN1)F
InChI: InChI=1S/C6H7FN2O/c1-2-4-5(7)6(10)9-3-8-4/h3H,2H2,1H3,(H,8,9,10)
EINECS: 422-460-5
Product Categories: Pyrimidine; APIs & Intermediate
XLogP3-AA: 0.4
H-Bond Donor: 1
H-Bond Acceptor: 3
Surface Tension: 36.886 dyne/cm
Density: 1.302 g/cm3
Flash Point: 63.1 °C
Enthalpy of Vaporization: 41.699 kJ/mol
Boiling Point: 180.724 °C at 760 mmHg
Vapour Pressure of 6-Ethyl-5-fluoro-pyrimidin-4-ol (CAS NO.137234-87-8): 0.883 mmHg at 25 °C
Safety Profile
Hazard Codes: 
Xi,
N,
Xn
Risk Statements: 22-50/53
R22: Harmful if swallowed.
R50/53: Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements: 60-61
S60: This material and its container must be disposed of as hazardous waste.
S61: Avoid release to the environment. Refer to special instructions / safety data sheets.
Hazard Note: Irritant
HazardClass of 6-Ethyl-5-fluoro-pyrimidin-4-ol (CAS NO.137234-87-8): Irritant
Specification
6-Ethyl-5-fluoro-pyrimidin-4-ol (CAS NO.137234-87-8), its Synonyms are 4-Ethyl-5-fluoro-6-hydroxypyrimidine ; 6-Ethyl-5-fluoropyrimidin-4(3H)-one ; 6-Ethyl-5-fluoro-4(1H)-pyrimidinone ; 6-Ethyl-5-fluoropyrimidin-4-one ; 4(1H)-Pyrimidinone, 6-ethyl-5-fluoro- (9CI) ; 4-Hydroxy-5-fluoro-6-ethylpyrimidine .
