5-Bromo-3-methyl-benzo[b]thiophene supplier

Name
5-Bromo-3-methyl-benzo[b]thiophene
EINECS
CAS No. 1196-09-4
Article Data14
CAS DataBase
Density 1.561 g/cm³
Solubility
Melting Point 40-41℃
Formula C₉H₇BrS
Boiling Point 302.321 °C at 760 mmHg
Molecular Weight 227.125
Flash Point 136.639 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Bromo-3-methyl-1-benzothiophene;Benzo[b]thiophene, 5-bromo-3-methyl-
PSA 28.24000
LogP 3.97220

5-Bromo-3-methyl-benzo[b]thiophene Specification

The 5-Bromo-3-methyl-benzo[b]thiophene, with the CAS registry number of 1196-09-4, is also known as Benzo[b]thiophene, 5-bromo-3-methyl-. This chemical's molecular formula is C₉H₇BrS and molecular weight is 227.1209. What's more, its IUPAC name is 5-Bromo-3-methyl-1-benzothiophene.

Physical properties about 5-Bromo-3-methyl-benzo[b]thiophene are: (1)ACD/LogP: 4.04; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 0; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 28.24 Å²; (7)Index of Refraction: 1.68; (8)Molar Refractivity: 54.995 cm³; (9)Molar Volume: 145.489 cm³; (10)Surface Tension: 47.729 dyne/cm; (11)Density: 1.561 g/cm³; (12)Flash Point: 136.639 °C; (13)Enthalpy of Vaporization: 52.084 kJ/mol; (14)Boiling Point: 302.321 °C at 760 mmHg; (15)Vapour Pressure: 0.002 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1cc2c(cc1)scc2C
(2) InChI: InChI=1/C9H7BrS/c1-6-5-11-9-3-2-7(10)4-8(6)9/h2-5H,1H3
(3) InChIKey: YSYLNZAFOPVZLP-UHFFFAOYAQ

Product Name

5-Bromo-3-methyl-benzo[b]thiophene

5-Bromo-3-methyl-benzo[b]thiophene Specification

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