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| CAS No.: | 1570-48-5 |
|---|---|
| Name: | 3-PROPIONYLPYRIDINE |
| Article Data: | 20 |
| Molecular Structure: | |
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| Formula: | C8H9NO |
| Molecular Weight: | 135.166 |
| Synonyms: | 1-Propanone,1-(3-pyridyl)- (6CI,7CI,8CI);1-(3-Pyridyl)-1-propanone;1-Pyridin-3-ylpropan-1-one;3-Propionylpyridine;3-Pyridyl ethyl ketone;Ethyl3-pyridyl ketone; |
| EINECS: | 216-380-8 |
| Density: | 1.034g/cm3 |
| Melting Point: | 174 °C |
| Boiling Point: | 236.9°C at 760mmHg |
| Flash Point: | 102.9°C |
| Risk Codes: | 36 |
| Safety: | 24/25 |
| PSA: | 29.96000 |
| LogP: | 1.67430 |
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Specification
The 1-(3-Pyridyl)propan-1-one, with CAS registry number 1570-48-5, has the systematic name of 1-(pyridin-3-yl)propan-1-one. And its IUPAC name is the same one. Its refractive index is 1.5240. When use this chemical, avoid contact with skin and eyes.
Physical properties about this chemical are: (1)ACD/LogP: 1.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 3.38; (6)ACD/BCF (pH 7.4): 3.39; (7)ACD/KOC (pH 5.5): 83.21; (8)ACD/KOC (pH 7.4): 83.44; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.96 Å2; (13)Index of Refraction: 1.508; (14)Molar Refractivity: 39 cm3; (15)Molar Volume: 130.6 cm3; (16)Polarizability: 15.46×10-24cm3; (17)Surface Tension: 38.8 dyne/cm; (18)Enthalpy of Vaporization: 47.37 kJ/mol; (19)Vapour Pressure: 0.0461 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1cccnc1)CC
(2)InChI: InChI=1/C8H9NO/c1-2-8(10)7-4-3-5-9-6-7/h3-6H,2H2,1H3
(3)InChIKey: VDNKJMUNLKAGAM-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C8H9NO/c1-2-8(10)7-4-3-5-9-6-7/h3-6H,2H2,1H3
(5)Std. InChIKey: VDNKJMUNLKAGAM-UHFFFAOYSA-N