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2050-73-9

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Basic Information
CAS No.: 2050-73-9
Name: 1,7-dichloronaphthalene
Article Data: 23
Molecular Structure:
Molecular Structure of 2050-73-9 (1,7-dichloronaphthalene)
Formula: C10H6Cl2
Molecular Weight: 197.064
Synonyms: 1,7-Dichloronaphthalene;PCN 8;
EINECS: 218-099-6
Density: 1.336g/cm3
Melting Point: 63.5°C
Boiling Point: 286.2 °C at 760 mmHg
Flash Point: 132.1 °C
PSA: 0.00000
LogP: 4.14660
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Specification

The Naphthalene,1,7-dichloro-, with CAS registry number 2050-73-9, has the systematic name of 1,7-dichloronaphthalene. Its molecular weight is 197.06064. And the chemical formula of this chemical is C10H6Cl2. What's more, its EINECS is 218-099-6.

Physical properties of Naphthalene,1,7-dichloro-: (1)ACD/LogP: 4.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.82; (4)ACD/LogD (pH 7.4): 4.82; (5)ACD/BCF (pH 5.5): 2704.84; (6)ACD/BCF (pH 7.4): 2704.84; (7)ACD/KOC (pH 5.5): 9961.43; (8)ACD/KOC (pH 7.4): 9961.43; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.651; (13)Molar Refractivity: 53.88 cm3; (14)Molar Volume: 147.4 cm3; (15)Polarizability: 21.36×10-24cm3; (16)Surface Tension: 45.4 dyne/cm; (17)Density: 1.336 g/cm3; (18)Flash Point: 132.1 °C; (19)Enthalpy of Vaporization: 50.42 kJ/mol; (20)Boiling Point: 286.2 °C at 760 mmHg; (21)Vapour Pressure: 0.00462 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1c2c(ccc1)ccc(Cl)c2
(2)InChI: InChI=1/C10H6Cl2/c11-8-5-4-7-2-1-3-10(12)9(7)6-8/h1-6H
(3)InChIKey: VQBIYCQGHAHVPN-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C10H6Cl2/c11-8-5-4-7-2-1-3-10(12)9(7)6-8/h1-6H
(5)Std. InChIKey: VQBIYCQGHAHVPN-UHFFFAOYSA-N