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CAS No.: | 2234-13-1 |
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Name: | Perchloronaphthalene |
Article Data: | 31 |
Molecular Structure: | |
Formula: | C10Cl8 |
Molecular Weight: | 403.734 |
Synonyms: | Naphthalene,octachloro- (6CI,7CI,8CI,9CI);1,2,3,4,5,6,7,8-Octachloronaphthalene;Halowax1051;NSC 243655;PCN 75;Perchloronaphthalene;Perna;naphthalene, 1,2,3,4,5,6,7,8-octachloro-; |
EINECS: | 218-778-7 |
Density: | 1.842 g/cm3 |
Melting Point: | 185 °C |
Boiling Point: | 424.7 °C at 760 mmHg |
Flash Point: | 214.2 °C |
Solubility: | insoluble in water |
Appearance: | pale yellow solid with an aromatic odor |
Hazard Symbols: | F;N;Xn |
Risk Codes: | 22-67-65-50/53-38-11 |
Safety: | 36/39-62-61-60 |
Transport Information: | UN 1145 3/PG 2 |
PSA: | 0.00000 |
LogP: | 8.06700 |
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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