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6304-16-1

Basic Information
CAS No.: 6304-16-1
Name: 4-Pyridyl acetone
Article Data: 31
Molecular Structure:
Molecular Structure of 6304-16-1 (4-Pyridyl acetone)
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
Downstream Products
78415-72-2
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  • (4-Pyridyl)acetone CAS NO.: 6304-16-1  CAS NO.6304-16-1

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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 .