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1825-31-6

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Basic Information
CAS No.: 1825-31-6
Name: 1,4-Dichloronaphthalene
Article Data: 41
Molecular Structure:
Molecular Structure of 1825-31-6 (1,4-Dichloronaphthalene)
Formula: C10H6Cl2
Molecular Weight: 197.064
Synonyms: 1,4-Dichloro-naphthalen;NSC 90291;PCN 5;
EINECS: 217-365-9
Density: 1.336 g/cm3
Melting Point: 67.5°C
Boiling Point: 293.131 °C at 760 mmHg
Flash Point: 137.569 °C
Solubility: 864.9ug/L(25 oC)
PSA: 0.00000
LogP: 4.14660
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Specification

The Naphthalene,1,4-dichloro-, with the CAS registry number 1825-31-6, is also known as 1,4-Dichloro-naphthalen. Its EINECS registry number is 217-365-9. 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 1,4-Dichloronaphthalene.

Physical properties about Naphthalene,1,4-dichloro- are: (1)ACD/LogP: 4.689; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.69; (4)ACD/LogD (pH 7.4): 4.69; (5)ACD/BCF (pH 5.5): 2154.77; (6)ACD/BCF (pH 7.4): 2154.77; (7)ACD/KOC (pH 5.5): 8465.36; (8)ACD/KOC (pH 7.4): 8465.36; (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: 137.569 °C; (20)Enthalpy of Vaporization: 51.134 kJ/mol; (21)Boiling Point: 293.131 °C at 760 mmHg; (22)Vapour Pressure: 0.00300 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc2c1ccccc1c(Cl)cc2
(2) InChI: InChI=1S/C10H6Cl2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H
(3) InChIKey: JDPKCYMVSKDOGS-UHFFFAOYSA-N