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1,8-Dichloronaphthalene

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Name

1,8-Dichloronaphthalene

EINECS 218-101-5
CAS No. 2050-74-0 Density 1.336 g/cm3
PSA 0.00000 LogP 4.14660
Solubility N/A Melting Point 89°C
Formula C10H6Cl2 Boiling Point 296.81 °C at 760 mmHg
Molecular Weight 197.064 Flash Point 140.479 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 2050-74-0 (1,8-Dichloronaphthalene) Hazard Symbols N/A
Synonyms

PCN 9;

Article Data 19

1,8-Dichloronaphthalene Specification

The CAS registry number of Naphthalene,1,8-dichloro- is 2050-74-0. Its EINECS registry number is 218-101-5. This chemical's molecular formula is C10H6Cl2 and molecular weight is 197.06. What's more, both its IUPAC name and systematic name are the same which is called 1,8-Dichloronaphthalene.

Physical properties about Naphthalene,1,8-dichloro- are: (1)ACD/LogP: 4.251; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.25; (4)ACD/LogD (pH 7.4): 4.25; (5)ACD/BCF (pH 5.5): 1001.56; (6)ACD/BCF (pH 7.4): 1001.56; (7)ACD/KOC (pH 5.5): 4891.96; (8)ACD/KOC (pH 7.4): 4891.96; (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: 1.652; (14)Molar Refractivity: 53.885 cm3; (15)Molar Volume: 147.451 cm3; (16)Polarizability: 21.362×10-24cm3; (17)Surface Tension: 45.447 dyne/cm; (18)Density: 1.336 g/cm3; (19)Flash Point: 140.479 °C; (20)Enthalpy of Vaporization: 51.514 kJ/mol; (21)Boiling Point: 296.81 °C at 760 mmHg; (22)Vapour Pressure: 0.0020 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cccc2cccc(Cl)c12
(2) InChI: InChI=1S/C10H6Cl2/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h1-6H
(3) InChIKey: ADRYPAGQXFMVFP-UHFFFAOYSA-N

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