1H,3H-Naphtho[1,8-cd]pyran-1,3-dione,4-nitro- (34087-02-0)

The 4-Nitro-1,8-naphthalic anhydride, with the CAS registry number 34087-02-0, is also known as 1H,3H-Naphtho[1,8-cd]pyran-1,3-dione, 6-nitro-. It belongs to the product categories of Intermediates of Dyes and Pigments; Phthalic Acids, Esters and Derivatives. This chemical's molecular formula is C₁₂H₅NO₅ and molecular weight is 243.17. Its systematic name is called 6-nitro-1H,3H-benzo[de]isochromene-1,3-dione.

Physical properties of 4-Nitro-1,8-naphthalic anhydride: (1)ACD/LogP: 1.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.48; (4)ACD/LogD (pH 7.4): 1.48; (5)ACD/BCF (pH 5.5): 7.9; (6)ACD/BCF (pH 7.4): 7.9; (7)ACD/KOC (pH 5.5): 152.82; (8)ACD/KOC (pH 7.4): 152.82; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.742; (13)Molar Refractivity: 60.06 cm³; (14)Molar Volume: 148.5 cm³; (15)Surface Tension: 80.6 dyne/cm; (16)Density: 1.637 g/cm³; (17)Melting Point: 226-229 °C(lit.); (18)Flash Point: 262.6 °C; (19)Enthalpy of Vaporization: 78.06 kJ/mol; (20)Boiling Point: 509.9 °C at 760 mmHg; (21)Vapour Pressure: 1.63E-10 mmHg at 25°C.

Uses of 4-Nitro-1,8-naphthalic anhydride: it can be used to produce 1-nitro-benzo[de]benzo[4,5]imidazo[2,1-a]isoquinolin-7-one. This reaction will need reagent acidic alumina with reaction time of 7 min. The yield is about 96%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It it irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1ccc2c3c1cccc3C(=O)OC2=O
(2)InChI: InChI=1/C12H5NO5/c14-11-7-3-1-2-6-9(13(16)17)5-4-8(10(6)7)12(15)18-11/h1-5H
(3)InChIKey: LKOZHLXUWUBRDK-UHFFFAOYAT