2,3-DICHLORO-5-NITRO-1,4-NAPHTHOQUINONE

The 1,4-Naphthalenedione,2,3-dichloro-5-nitro-, with the CAS registry number 22360-86-7, is also known as 5-Nitro-2,3-dichloro-1,4-naphthoquinone. This chemical's molecular formula is C₁₀H₃Cl₂NO₄ and molecular weight is 272.04. What's more, its systematic name is 2,3-dichloro-5-nitronaphthalene-1,4-dione.

Physical properties of 1,4-Naphthalenedione,2,3-dichloro-5-nitro- are: (1)ACD/LogP: 2.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.08; (4)ACD/LogD (pH 7.4): 2.08; (5)ACD/BCF (pH 5.5): 22.49; (6)ACD/BCF (pH 7.4): 22.49; (7)ACD/KOC (pH 5.5): 323.1; (8)ACD/KOC (pH 7.4): 323.1; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 79.96 Å²; (13)Index of Refraction: 1.66; (14)Molar Refractivity: 58.6 cm³; (15)Molar Volume: 158.6 cm³; (16)Polarizability: 23.23×10^-24cm³; (17)Surface Tension: 69.4 dyne/cm; (18)Density: 1.71 g/cm³; (19)Flash Point: 195.9 °C; (20)Enthalpy of Vaporization: 65.11 kJ/mol; (21)Boiling Point: 400.2 °C at 760 mmHg; (22)Vapour Pressure: 1.29E-06 mmHg at 25°C.

Uses of 1,4-Naphthalenedione,2,3-dichloro-5-nitro-: it can be used to produce 5-nitro-2,3-diphthalimido-1,4-naphthoquinone at the ambient temperature. It will need reagent solvent dimethylformamide with the reaction time of 2 hours. The yield is about 57%.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. It is 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. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cccc2c1C(=O)C(/Cl)=C(/Cl)C2=O
(2)InChI: InChI=1S/C10H3Cl2NO4/c11-7-8(12)10(15)6-4(9(7)14)2-1-3-5(6)13(16)17/h1-3H
(3)InChIKey: AWCITCQRUBWCJA-UHFFFAOYSA-N