1,4-Naphthoquinone is an organic compound with the formula C₁₀H₆O₂, and its systematic name is the same with the product name. With the CAS registry number 130-15-4, it is also named as p-Naphthoquinone. Its EINECS number is 204-977-6. In addition, the molecular weight is 158.15. Its classification codes are: (1)Agricultural Chemical; (2)Drug / Therapeutic Agent; (3)Fungicide, bactericide, wood preservative; (4)Mutation data; (5)Reproductive Effect; (6)Tumor data. This chemical is used for the production of anthraquinone, and it is a kind of important agricultural fungicide.

Physical properties of 1,4-Naphthoquinone are: (1)ACD/LogP: 1.573; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.57; (4)ACD/LogD (pH 7.4): 1.57; (5)ACD/BCF (pH 5.5): 9.23; (6)ACD/BCF (pH 7.4): 9.23; (7)ACD/KOC (pH 5.5): 170.80; (8)ACD/KOC (pH 7.4): 170.80; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 34.14 Å²; (13)Index of Refraction: 1.617; (14)Molar Refractivity: 42.904 cm³; (15)Molar Volume: 122.551 cm³; (16)Polarizability: 17.008×10^-24cm³; (17)Surface Tension: 52.92 dyne/cm; (18)Density: 1.29 g/cm³; (19)Flash Point: 111.219 °C; (20)Enthalpy of Vaporization: 53.782 kJ/mol; (21)Boiling Point: 297.935 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.

Preparation of 1,4-Naphthoquinone: this chemical can be prepared by 4-Amino-[1]naphthol. This reaction will need reagents NaOCl, Dowex 1X8-200 - chloride form and solvent 1,2-dimethoxy-ethane with the reaction time of 85 min. The yield is about 93%.

Uses of 1,4-Naphthoquinone: it can be used to produce 2-(2'-acetylanilino)-1,4-naphthoquinone at the ambient temperature. It will need reagents CeCl₃·7H₂O, air and solvent ethanol with the reaction time of 24 hours. The yield is about 60%.

When you are using this chemical, please be cautious about it as the following:
This chemical is highly flammable, so you should keep it away from sources of ignition - No smoking. It is irritating to eyes, respiratory system and skin, and it may cause sensitisation by skin contact, so you should avoid contact with skin. This substance is toxic if swallowed and is very toxic by inhalation. What's more, it is very toxic to aquatic organisms. It can cause burns. In case of insufficient ventilation, you need to wear suitable respiratory equipment. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need to wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, you should seek medical advice immediately (show the label where possible). You must avoid releasing it to the environment, and you need to refer to special instructions/safety data sheet.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C\2c1c(cccc1)C(=O)/C=C/2
(2)Std. InChI: InChI=1S/C10H6O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H
(3)Std. InChIKey: FRASJONUBLZVQX-UHFFFAOYSA-N

The toxicity data is as follows: