2-Propanone,1-(3-pyridinyl)- supplier

Name
3-(2-OXO-PROPYL)-PYRIDINIUM, CHLORIDE
EINECS
CAS No. 6302-03-0
Article Data15
CAS DataBase
Density 1.046 g/cm³
Solubility
Melting Point 110-115 °C
Formula C₈H₉NO
Boiling Point 230.8 °C at 760 mmHg
Molecular Weight 135.166
Flash Point 98.9 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 2-Propanone,(3-pyridyl)- (6CI);1-(3-Pyridinyl)-2-propanone;3-Acetonylpyridine;NSC 42755;Methyl3-pyridylmethyl ketone;1-(pyridin-3-yl)propan-2-one;
PSA 29.96000
LogP 2.01510

2-Propanone,1-(3-pyridinyl)- Specification

The 2-Propanone,1-(3-pyridinyl)-, with the CAS registry number 6302-03-0, has the systematic name of 1-(pyridin-3-yl)propan-2-one. And the molecular formula of this chemical is C₈H₉NO. It is a kind of organics, and should be stored in the dry and cool environment.

The physical properties of 2-Propanone,1-(3-pyridinyl)- are as following: (1)ACD/LogP: -0.05; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 29.96 Å²; (7)Index of Refraction: 1.509; (8)Molar Refractivity: 38.55 cm³; (9)Molar Volume: 129.1 cm³; (10)Polarizability: 15.28×10^-24cm³; (11)Surface Tension: 39.1 dyne/cm; (12)Density: 1.046 g/cm³; (13)Flash Point: 98.9 °C; (14)Enthalpy of Vaporization: 46.74 kJ/mol; (15)Boiling Point: 230.8 °C at 760 mmHg; (16)Vapour Pressure: 0.0647 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Cc1cccnc1)C
(2)InChI: InChI=1/C8H9NO/c1-7(10)5-8-3-2-4-9-6-8/h2-4,6H,5H2,1H3
(3)InChIKey: WPDJRDYNRNXPBX-UHFFFAOYAB

Product Name

3-(2-OXO-PROPYL)-PYRIDINIUM, CHLORIDE

2-Propanone,1-(3-pyridinyl)- Specification

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