6-Nitroquinazolin-4(3H)-one supplier

Name
6-NITROQUINAZOLIN-4(3H)-ONE
EINECS
CAS No. 6943-17-5
Article Data88
CAS DataBase
Density 1.642 g/cm³
Solubility
Melting Point 286-287 °C
Formula C₈H₅N₃O₃
Boiling Point 406.989 °C at 760 mmHg
Molecular Weight 191.146
Flash Point 199.94 °C
Transport Information
Appearance Yellow Solid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4(1H)-Quinazolinone,6-nitro- (9CI);6-Nitro-3,4-dihydroquinazolin-4-one;6-Nitro-3H-quinazolin-4-one;6-Nitro-4(1H)-quinazolinone;6-Nitro-4(3H)-quinazolinone;6-Nitro-4-quinazolinone;6-Nitro-4-quinazolone;6-Nitroquinazolin-4(3H)-one;6-Nitroquinazolin-4-ol;NSC 51669;
PSA 91.57000
LogP 1.35450

6-Nitroquinazolin-4(3H)-one Specification

The 6-Nitroquinazolin-4(3H)-one, with the CAS registry number 6943-17-5, is also known as 6-Nitro-4-quinazolinone. It belongs to the product categories of Aromatics; Heterocycles; Intermediates & Fine Chemicals; Pharmaceuticals. This chemical's molecular formula is C₈H₅N₃O₃ and molecular weight is 191.14. What's more, its systematic name is 6-Nitro-4(1H)-quinazolinone.

Physical properties of 6-Nitroquinazolin-4(3H)-one are: (1)ACD/LogP: 0.436; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.44; (4)ACD/LogD (pH 7.4): 0.44; (5)ACD/BCF (pH 5.5): 1.26; (6)ACD/BCF (pH 7.4): 1.26; (7)ACD/KOC (pH 5.5): 41.14; (8)ACD/KOC (pH 7.4): 41.14; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 87.28 Å²; (13)Index of Refraction: 1.74; (14)Molar Refractivity: 46.933 cm³; (15)Molar Volume: 116.411 cm³; (16)Polarizability: 18.606×10^-24cm³; (17)Surface Tension: 76.5 dyne/cm; (18)Density: 1.642 g/cm³; (19)Flash Point: 199.94 °C; (20)Enthalpy of Vaporization: 65.88 kJ/mol; (21)Boiling Point: 406.989 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c2ccc1c(C(=O)\N=C/N1)c2
(2)Std. InChI: InChI=1S/C8H5N3O3/c12-8-6-3-5(11(13)14)1-2-7(6)9-4-10-8/h1-4H,(H,9,10,12)
(3)Std. InChIKey: MOBNCKURXDGQCB-UHFFFAOYSA-N

Product Name

6-NITROQUINAZOLIN-4(3H)-ONE

6-Nitroquinazolin-4(3H)-one Specification

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