1-(2-Chloropyridin-4-yl)ethanone supplier

Name
1-(2-CHLORO-PYRIDIN-4-YL)-ETHANONE
EINECS
CAS No. 23794-15-2
Article Data25
CAS DataBase
Density 1.233 g/cm³
Solubility
Melting Point 36.5 °C
Formula C₇H₆ClNO
Boiling Point 270.16 °C at 760 mmHg
Molecular Weight 155.584
Flash Point 117.189 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Ketone,2-chloro-4-pyridyl methyl (8CI);2-Chloro-4-acetylpyridine;4-Acetyl-2-chloropyridine;
PSA 29.96000
LogP 1.93760

1-(2-Chloropyridin-4-yl)ethanone Specification

The IUPAC name of 1-(2-Chloropyridin-4-yl)ethanone is 1-(2-chloropyridin-4-yl)ethanone. With the CAS registry number 23794-15-2, it is also named as 4-Acetyl-2-chloropyridine. The product's categories are Pyridine Series; Pyridines. In addition, its molecular formula is C₇H₆ClNO and molecular weight is 155.58.

The other characteristics of 1-(2-Chloropyridin-4-yl)ethanone can be summarized as: (1)ACD/LogP: 1.30; (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): 6; (6)ACD/BCF (pH 7.4): 6; (7)ACD/KOC (pH 5.5): 121; (8)ACD/KOC (pH 7.4): 121; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.96 Å²; (13)Index of Refraction: 1.535; (14)Molar Refractivity: 39.267 cm³; (15)Molar Volume: 126.138 cm³; (16)Polarizability: 15.567×10^-24cm³; (17)Surface Tension: 42.716 dyne/cm; (18)Enthalpy of Vaporization: 50.833 kJ/mol; (19)Vapour Pressure: 0.007 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: CC(=O)c1ccnc(c1)Cl
(2)InChI: InChI=1/C7H6ClNO/c1-5(10)6-2-3-9-7(8)4-6/h2-4H,1H3
(3)InChIKey: ZJCGPQZERFBGSM-UHFFFAOYAU

Product Name

1-(2-CHLORO-PYRIDIN-4-YL)-ETHANONE

1-(2-Chloropyridin-4-yl)ethanone Specification

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