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| CAS No.: | 6304-16-1 |
|---|---|
| Name: | 4-Pyridyl acetone |
| Article Data: | 31 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C8H9NO |
| Molecular Weight: | 135.166 |
| Synonyms: | 2-Propanone,(4-pyridyl)- (6CI);2-Propanone, 1-(4-pyridyl)- (8CI);1-(4-Pyridyl)-2-propanone;2-Propanone,1-(4-pyridinyl)-;1-(Pyridin-4-yl)acetone;1-(Pyridin-4-yl)propan-2-one;4-(2-Oxopropyl)pyridine;4-Acetonylpyridine;4-Pyridinylacetone;4-Pyridylacetone;Methyl 4-pyridylmethyl ketone;NSC 42613; |
| EINECS: | 228-605-7 |
| Density: | 1.046 g/cm3 |
| Melting Point: | 13 °C |
| Boiling Point: | 232.5 °C at 760 mmHg |
| Flash Point: | 100.1 °C |
| Solubility: | Slightly soluble in water. |
| Hazard Symbols: | R36/37/38:Irritating to eyes, respiratory system and skin.; |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 29.96000 |
| LogP: | 1.21310 |
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Chemistry
IUPAC Name of 1-(4-Pyridyl)acetone (CAS NO.6304-16-1): 1-Pyridin-4-ylpropan-2-one
Molecular Weight: 135.16316 g/mol
Molecular Formula: C8H9NO
XLogP3-AA: 0.5
H-Bond Acceptor: 2
Melting Point: 13 °C
Surface Tension: 39.1 dyne/cm
Refractive Index: 1.5225
Density: 1.046 g/cm3
Flash Point: 100.1 °C
Enthalpy of Vaporization: 46.92 kJ/mol
Boiling Point: 232.5 °C at 760 mmHg
Vapour Pressure: 0.0587 mmHg at 25 °C
Rotatable Bond Count: 2
Tautomer Count: 5
Exact Mass: 135.068414
MonoIsotopic Mass: 135.068414
Topological Polar Surface Area: 30
Heavy Atom Count: 10
Canonical SMILES: CC(=O)CC1=CC=NC=C1
InChI: InChI=1S/C8H9NO/c1-7(10)6-8-2-4-9-5-3-8/h2-5H,6H2,1H3
InChIKey: ILRVKOYYFFNXDB-UHFFFAOYSA-N
EINECS: 228-605-7
Product Categories: Pyridines
Following is the molecular structure of 1-(4-Pyridyl)acetone (CAS NO.6304-16-1) is:
Uses
1-(4-Pyridyl)acetone (CAS NO.6304-16-1) is used as pharmaceutical intermediate, and mainly used for the synthesis of milrinone.
Production
1-(4-Pyridyl)acetone (CAS NO.6304-16-1) is made by the reaction of 4-methyl-pyridine , phenyl-lithium and ethyl acetate .
Safety Profile
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
Specification
1-(4-Pyridyl)acetone (CAS NO.6304-16-1) is also named as 1-(Pyridin-4-yl)acetone ; 1-(pyridin-4-yl)propan-2-one ; 2-propanone, 1-(4-pyridinyl)- ; 4-Acetonylpyridine ; (4-Pyridyl)acetone, 97% ; (Pyridin-4-yl)acetone 97% ; 1-(4-pyridinyl)-2-propanone ; 1-(4-pyridyl)acetone .