4-Acetyl-3-chloropyridine supplier

Name
1-(3-CHLORO-PYRIDIN-4-YL)-ETHANONE
EINECS
CAS No. 78790-82-6
Article Data4
CAS DataBase
Density 1.233 g/cm³
Solubility
Melting Point
Formula C₇H₆ClNO
Boiling Point 210.477 °C at 760 mmHg
Molecular Weight 155.584
Flash Point 81.094 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Acetyl-3-chloropyridine;
PSA 29.96000
LogP 1.93760

4-Acetyl-3-chloropyridine Specification

The Ethanone,1-(3-chloro-4-pyridinyl)- is an organic compound with the formula C₇H₆ClNO. With the CAS registry number 78790-82-6, the IUPAC name of this chemical is 1-(3-chloropyridin-4-yl)ethanone.

Physical properties about Ethanone,1-(3-chloro-4-pyridinyl)- are: (1)ACD/LogP: 1.10; (2)ACD/LogD (pH 5.5): 1.097; (3)ACD/LogD (pH 7.4): 1.097; (4)ACD/BCF (pH 5.5): 4.015; (5)ACD/BCF (pH 7.4): 4.015; (6)ACD/KOC (pH 5.5): 94.133; (7)ACD/KOC (pH 7.4): 94.138; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 29.96 Å²; (11)Index of Refraction: 1.535; (12)Molar Refractivity: 39.267 cm³; (13)Molar Volume: 126.138 cm³; (14)Polarizability: 15.567×10^-24cm³; (15)Surface Tension: 42.716 dyne/cm; (16)Density: 1.233 g/cm³; (17)Flash Point: 81.094 °C; (18)Enthalpy of Vaporization: 44.676 kJ/mol; (19)Boiling Point: 210.477 °C at 760 mmHg; (20)Vapour Pressure: 0.192 mmHg at 25°C.

Preparation: this chemical can be prepared by 3-chloro-isonicotinonitrile and methylmagnesium bromide. This reaction will need reagent diethyl ether. The reaction time is 5 min at ambient temperature. The yield is about 81%.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)c1ccncc1Cl
(2)InChI: InChI=1/C7H6ClNO/c1-5(10)6-2-3-9-4-7(6)8/h2-4H,1H3
(3)InChIKey: USENXBJIUNFKAX-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C7H6ClNO/c1-5(10)6-2-3-9-4-7(6)8/h2-4H,1H3
(5)Std. InChIKey: USENXBJIUNFKAX-UHFFFAOYSA-N

Product Name

1-(3-CHLORO-PYRIDIN-4-YL)-ETHANONE

4-Acetyl-3-chloropyridine Specification

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