5-Chlorobenzo[b]thiophene supplier

Name
5-CHLOROBENZOTHIOPHENE
EINECS
CAS No. 20532-33-6
Article Data1
CAS DataBase
Density 1.349 g/cm³
Solubility Slightly soluble in water.
Melting Point
Formula C₈H₅ClS
Boiling Point 261.5 °C at 760 mmHg
Molecular Weight 168.647
Flash Point 147.6 °C
Transport Information
Appearance
Safety 26-37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols
Synonyms 5-Chlorobenzothiophene;
PSA 28.24000
LogP 3.55470

5-Chlorobenzo[b]thiophene Specification

The 5-Chlorobenzo[b]thiophene, with CAS registry number 20532-33-6, has the systematic name of 5-chloro-1-benzothiophene. Besides this, it is also called Benzo[b]thiophene, 5-chloro-. And the chemical formula of this chemical is C₈H₅ClS.

Physical properties of 5-Chlorobenzo[b]thiophene: (1)ACD/LogP: 4.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.98; (4)ACD/LogD (pH 7.4): 4.98; (5)ACD/BCF (pH 5.5): 3556.74; (6)ACD/BCF (pH 7.4): 3556.74; (7)ACD/KOC (pH 5.5): 12118.17; (8)ACD/KOC (pH 7.4): 12118.17; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 28.24 Å²; (13)Index of Refraction: 1.682; (14)Molar Refractivity: 47.37 cm³; (15)Molar Volume: 124.9 cm³; (16)Polarizability: 18.78×10^-24cm³; (17)Surface Tension: 48.6 dyne/cm; (18)Enthalpy of Vaporization: 47.91 kJ/mol; (19)Vapour Pressure: 0.0187 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2cc1c(scc1)cc2
(2)InChI: InChI=1/C8H5ClS/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5H
(3)InChIKey: SNYURIHMNFPQFL-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C8H5ClS/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5H
(5)Std. InChIKey: SNYURIHMNFPQFL-UHFFFAOYSA-N

Product Name

5-CHLOROBENZOTHIOPHENE

5-Chlorobenzo[b]thiophene Specification

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