Benzo[b]thiophene,2-bromo- supplier

Name
2-BROMOBENZO[B]THIOPHENE
EINECS
CAS No. 5394-13-8
Density 1.649 g/cm³
Solubility
Melting Point 44.5-45℃
Formula C₈H₅BrS
Boiling Point 284.7 °C at 760 mmHg
Molecular Weight 213.098
Flash Point 126 °C
Transport Information
Appearance
Safety 22-26-36/37/39
Risk Codes 20/21/22-36/37/38-36-22
Molecular Structure
Hazard Symbols Xn
Synonyms 2-Bromobenzo[b]thiophene;
PSA 28.24000
LogP 3.66380

Benzo[b]thiophene,2-bromo- Specification

The Benzo[b]thiophene,2-bromo-, with the CAS registry number 5394-13-8, is also known as 2-Bromobenzo[b]thiophene. This chemical's molecular formula is C₈H₅BrS and molecular weight is 213.0943. What's more, both its IUPAC name and systematic name are the same which is called 2-Bromo-1-benzothiophene.

Physical properties about Benzo[b]thiophene,2-bromo- are: (1)ACD/LogP: 5.15; (2)#of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.15; (4)ACD/LogD (pH 7.4): 5.15; (5)ACD/BCF (pH 5.5): 4845.1; (6)ACD/BCF (pH 7.4): 4845.1; (7)ACD/KOC (pH 5.5): 15119.35; (8)ACD/KOC (pH 7.4): 15119.35; (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: 50.16 cm³; (15)Molar Volume: 129.2 cm³; (16)Surface Tension: 50.6 dyne/cm; (17)Density: 1.649 g/cm³; (18)Flash Point: 126 °C; (19)Enthalpy of Vaporization: 50.27 kJ/mol; (20)Boiling Point: 284.7 °C at 760 mmHg; (21)Vapour Pressure: 0.00503 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc2sc1ccccc1c2
(2) InChI: InChI=1/C8H5BrS/c9-8-5-6-3-1-2-4-7(6)10-8/h1-5H
(3) InChIKey: WIFMYMXKTAVDSQ-UHFFFAOYAQ

Product Name

2-BROMOBENZO[B]THIOPHENE

Benzo[b]thiophene,2-bromo- Specification

Related Products

Hot Products