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CAS No.: | 160252-31-3 |
---|---|
Name: | 5-Acetyl-2-chloropyrazine |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C6H5ClN2O |
Molecular Weight: | 156.572 |
Synonyms: | 1-(5-Chloropyrazin-2-yl)ethanone; |
Density: | 1.312 g/cm3 |
Boiling Point: | 259.52 °C at 760 mmHg |
Flash Point: | 110.754 °C |
PSA: | 42.85000 |
LogP: | 1.33260 |
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The CAS registry number of 5-Acetyl-2-chloropyrazine is . Its EINECS registry number is 160252-31-3. The systematic name is 1-(5-chloropyrazin-2-yl)ethanone. In addition, the molecular formula is C6H5ClN2O and the molecular weight is 156.57. It can be used in the preparation of 5,7-disubstituted-4-aminopyrido[2,3-d]pyrimidines as adenosine kinase inhibitors. What's more, it should be stored in sealed container, and put in a cool and dry place.
Physical properties about 5-Acetyl-2-chloropyrazine are: (1)ACD/LogP: 0.93 ; (2)ACD/LogD (pH 5.5): 0.931; (3)ACD/LogD (pH 7.4): 0.931; (4)ACD/BCF (pH 5.5): 3.003; (5)ACD/BCF (pH 7.4): 3.003; (6)ACD/KOC (pH 5.5): 76.47; (7)ACD/KOC (pH 7.4): 76.47; (8)#H bond acceptors: 3 ; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 42.85 Å2; (11)Index of Refraction: 1.538; (12)Molar Refractivity: 37.358 cm3; (13)Molar Volume: 119.362 cm3; (14)Polarizability: 14.81 ×10-24cm3; (15)Surface Tension: 49.51 dyne/cm; (16)Density: 1.312 g/cm3; (17)Flash Point: 110.754 °C; (18)Enthalpy of Vaporization: 49.717 kJ/mol; (19)Boiling Point: 259.52 °C at 760 mmHg; (20)Vapour Pressure: 0.013 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)c1cnc(cn1)Cl
(2)InChI: InChI=1/C6H5ClN2O/c1-4(10)5-2-9-6(7)3-8-5/h2-3H,1H3
(3)InChIKey: NMMJHUZSTPHGCA-UHFFFAOYAI