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Basic Information
CAS No.: 33077-69-9
Name: p-Ethoxyphenyl(4-pyridyl) ketone
Molecular Structure:
Molecular Structure of 33077-69-9 (p-Ethoxyphenyl(4-pyridyl) ketone)
Formula: C14H13NO2
Molecular Weight: 227.28
Synonyms: p-Ethoxyphenyl 4-pyridyl ketone;HMS2470I15;
Density: 1.129g/cm3
Boiling Point: 380°C at 760 mmHg
Flash Point: 183.6°C
Safety: Moderately toxic by intraperitoneal route. A flammable liquid. When heated to decomposition it emits toxic vapors of NOx.
PSA: 39.19000
LogP: 2.71130
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Chemistry

The Molecular Structure of 4-(p-Ethoxybenzoyl)pyridine (CAS NO.33077-69-9):

Molecular Formula: C14H13NO2
Molecular Weight: 227.258520 g/mol
IUPAC: (4-ethoxyphenyl)-pyridin-4-ylmethanone 
Density: 1.129 g/cm3
Flash Point: 183.6 °C
Enthalpy of Vaporization: 62.81 kJ/mol
Boiling Point: 380 °C at 760 mmHg
Vapour Pressure: 5.62E-06 mmHg at 25°C
Polar Surface Area: 39.19Å2
Index of Refraction: 1.563
Molar Refractivity: 65.44 cm3
Molar Volume: 201.2 cm3
Surface Tension: 43.6 dyne/cm
ACD/LogP: 2.47
ACD/LogD (pH 5.5): 2.47
ACD/LogD (pH 7.4): 2.47
ACD/BCF (pH 5.5): 44.34
ACD/BCF (pH 7.4): 44.48
ACD/KOC (pH 5.5): 524.75
ACD/KOC (pH 7.4): 526.5 
InChI: InChI=1/C14H13NO2/c1-2-17-13-5-3-11(4-6-13)14(16)12-7-9-15-10-8-12/h3-10H,2H2,1H3
Smiles: c1(C(c2ccncc2)=O)ccc(OCC)cc1

Toxicity Data With Reference

1.    

ipr-mus LD50:490 mg/kg

     JMCMAR    Journal of Medicinal Chemistry. 14 (1971),551.

Safety Profile

Moderately toxic by intraperitoneal route. A flammable liquid. When heated to decomposition it emits toxic vapors of NOx.

Standards and Recommendations

DOT Classification:  3; Label: Flammable Liquid

Specification

 4-(p-Ethoxybenzoyl)pyridine (CAS NO.33077-69-9) is also called as 5-21-12-00524 (Beilstein Handbook Reference) ; BRN 1458312 ; Pyridine, 4-(p-ethoxybenzoyl)- ; p-Ethoxyphenyl 4-pyridyl ketone ; Ketone, (p-ethoxyphenyl) 4-pyridyl .