CAS No.31557-75-2,1-(5-Nitropyridin-2-yl)ethanone Suppliers

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Basic Information

Molecular Structure:
CAS No.:	31557-75-2
Name:	1-(5-Nitropyridin-2-yl)ethanone
Article Data:	3

Formula:	C₇H₆N₂O₃
Molecular Weight:	166.136
Synonyms:	Ketone,methyl 5-nitro-2-pyridyl (8CI);2-Acetyl-5-nitropyridine;
Density:	1.318 g/cm³
Melting Point:	88-89 °C(Solv: cyclohexane (110-82-7))
Boiling Point:	277.3 °C at 760 mmHg
Flash Point:	121.5 °C
PSA:	75.78000
LogP:	1.71560

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Specification

This chemical is called 1-(5-Nitropyridin-2-yl)ethanone, and it can also be named as ethanone, 1-(5-nitro-2-pyridinyl)-. With the molecular formula of C₇H₆N₂O₃, its molecular weight is 166.13. The CAS registry number of this chemical is 31557-75-2.

Other characteristics of the 1-(5-Nitropyridin-2-yl)ethanone can be summarised as followings: (1)ACD/LogP: 0.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.73; (4)ACD/LogD (pH 7.4): 0.73; (5)ACD/BCF (pH 5.5): 2.12; (6)ACD/BCF (pH 7.4): 2.12; (7)ACD/KOC (pH 5.5): 59.69; (8)ACD/KOC (pH 7.4): 59.69; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 75.78 Å²; (13)Index of Refraction: 1.562; (14)Molar Refractivity: 40.91 cm³; (15)Molar Volume: 126 cm³; (16)Polarizability: 16.22×10^-24cm³; (17)Surface Tension: 54.2 dyne/cm; (18)Density: 1.318 g/cm³; (19)Flash Point: 121.5 °C; (20)Enthalpy of Vaporization: 51.59 kJ/mol; (21)Boiling Point: 277.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00456 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(C)c1ccc(cn1)N(=O)=O
2.InChI: InChI=1/C7H6N2O3/c1-5(10)7-3-2-6(4-8-7)9(11)12/h2-4H,1H3
3.InChIKey: QTGKFJUCQAYIRK-UHFFFAOYAB