Perchloronaphthalene

EPA Extremely Hazardous Substances List. Community Right-To-Know List. Reported in EPA TSCA Inventory.

OSHA PEL: TWA 0.1 mg/m³ (skin); STEL 0.3 mg/m³
ACGIH TLV: TWA 0.1 mg/m³ (skin); STEL 0.3 mg/m³
NIOSH REL: TWA 0.1 mg/m³; STEL 0.3 mg/m³ (skin)

The Octachloronaphthalene, with the CAS registry number 2234-13-1 and EINECS registry number 218-778-7, has the IUPAC name of 1,2,3,4,5,6,7,8-octachloronaphthalene. It is a kind of pale yellow solid with an aromatic odor, and it is also insoluble in water. The molecular formula of this chemical is C₁₀Cl₈.

The physical properties of Octachloronaphthalene are as following: (1)ACD/LogP: 6.58; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.58; (4)ACD/LogD (pH 7.4): 6.58; (5)ACD/BCF (pH 5.5): 58535.7; (6)ACD/BCF (pH 7.4): 58535.7; (7)ACD/KOC (pH 5.5): 89970.7; (8)ACD/KOC (pH 7.4): 89970.7; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.684; (14)Molar Refractivity: 83.25 cm³; (15)Molar Volume: 219.1 cm³; (16)Polarizability: 33×10^-24cm³; (17)Surface Tension: 55.4 dyne/cm; (18)Density: 1.842 g/cm³; (19)Flash Point: 214.2 °C; (20)Enthalpy of Vaporization: 65.29 kJ/mol; (21)Boiling Point: 424.7 °C at 760 mmHg; (22)Vapour Pressure: 5.01E-07 mmHg at 25°C.

Preparation of Octachloronaphthalene: This chemical can be prepared by decachloro-1,4-dihydro-naphthalene. The reaction will need heating and solvent diisopropyl ether, and the yield is about 81%. 

Uses of Octachloronaphthalene: It can react with methanol to produce heptachloro-8-methoxynaphthalene. This reaction will need reagent sodium hydroxide and pyridine. The reaction time is 10 minutes with heating, and the yield is about 63%.   

You should be cautious while dealing with this chemical. It is a kind of flammble chemical which irritates respiratory system. It is also very toxic to aquatic organisms, and may cause long-term adverse effects in the aquatic environment. It may cause lung damage if swallowed, and its vapors may cause drowsiness and dizziness. Therefore, you had better take the following instructions: Wear suitable protective clothing and eye/face protection; This material and/or its container must be disposed of as hazardous waste; If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label; Avoid release to the environment. Refer to special instructions safety data sheet.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2c1c(Cl)c(Cl)c(Cl)c(Cl)c1c(Cl)c(Cl)c2Cl
(2)InChI: InChI=1/C10Cl8/c11-3-1-2(5(13)9(17)7(3)15)6(14)10(18)8(16)4(1)12
(3)InChIKey: RTNLUFLDZOAXIC-UHFFFAOYAM