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318463-07-9

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Basic Information
CAS No.: 318463-07-9
Name: 4,7-Dichloro benzothiophene
Molecular Structure:
Molecular Structure of 318463-07-9 (4,7-Dichloro benzothiophene)
Formula: C8H4Cl2S
Molecular Weight: 203.09
Synonyms: 4,7-dichloro-1-benzothiophene
Density: 1.483 g/cm3
Boiling Point: 294.8 °C at 760 mmHg
Flash Point: 174.7 °C
PSA: 28.24000
LogP: 4.20810
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Specification

The 4,7-Dichloro benzothiophene, with the CAS registry number 318463-07-9. This chemical's molecular formula is C8H4Cl2S and molecular weight is 203.09. What's more, its systematic name is 4,7-Dichloro-1-benzothiophene.

Physical properties of 4,7-Dichloro benzothiophene are: (1)ACD/LogP: 5.40; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.4; (4)ACD/LogD (pH 7.4): 5.4; (5)ACD/BCF (pH 5.5): 7450.9; (6)ACD/BCF (pH 7.4): 7450.9; (7)ACD/KOC (pH 5.5): 20573.96; (8)ACD/KOC (pH 7.4): 20573.96; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 28.24Å2; (13)Index of Refraction: 1.688; (14)Molar Refractivity: 52.26 cm3; (15)Molar Volume: 136.9 cm3; (16)Polarizability: 20.72×10-24cm3; (17)Surface Tension: 51 dyne/cm; (18)Density: 1.483 g/cm3; (19)Flash Point: 174.7 °C; (20)Enthalpy of Vaporization: 51.3 kJ/mol; (21)Boiling Point: 294.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0028 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(Cl)c2ccsc12
(2)Std. InChI: InChI=1S/C8H4Cl2S/c9-6-1-2-7(10)8-5(6)3-4-11-8/h1-4H
(3)Std. InChIKey: JNIOIHBMZGPVRZ-UHFFFAOYSA-N