6-Bromobenzo[b]thiophene supplier

Name
6-BROMO-BENZO[B]THIOPHENE
EINECS 605-681-3
CAS No. 17347-32-9
Article Data25
CAS DataBase
Density 1.649 g/cm³
Solubility
Melting Point 56.0 to 60.0 °C
Formula C₈H₅BrS
Boiling Point 284.713 °C at 760 mmHg
Molecular Weight 213.098
Flash Point 125.99 °C
Transport Information
Appearance
Safety 26
Risk Codes 22-36
Molecular Structure
Hazard Symbols Xn
Synonyms 6-Bromo-1-benzothiophene;6-Bromobenzothiophene;
PSA 28.24000
LogP 3.66380

6-Bromobenzo[b]thiophene Specification

This chemical has the IUPAC name 6-bromo-1-benzothiophene. With the CAS registry number 17347-32-9, it is also called Benzo[b]thiophene,6-bromo-. Its molecular formula is C₈H₅BrS and its molecular weight is 213.09.

The properties of the 6-Bromobenzo[b]thiophene are: (1)ACD/LogP: 3.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 528; (6)ACD/BCF (pH 7.4): 528; (7)ACD/KOC (pH 5.5): 3094; (8)ACD/KOC (pH 7.4): 3094; (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: 1.704; (14)Molar Refractivity: 50.17 cm³; (15)Molar Volume: 129.214 cm³; (16)Polarizability: 19.889×10^-24cm³; (17)Surface Tension: 50.681 dyne/cm; (18)Enthalpy of Vaporization: 50.269 kJ/mol; (19)Vapour Pressure: 0.005 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(cc2c1ccs2)Br
(2)InChI: InChI=1/C8H5BrS/c9-7-2-1-6-3-4-10-8(6)5-7/h1-5H
(3)InChIKey: OQIMJOXSDVGEBU-UHFFFAOYAM

Product Name

6-BROMO-BENZO[B]THIOPHENE

6-Bromobenzo[b]thiophene Specification

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