2-Bromo-1-(3-methylbenzo[b]thiophen-2-yl)ethan-1-one

Base Information

• Chemical Name: 2-Bromo-1-(3-methylbenzo[b]thiophen-2-yl)ethan-1-one
• CAS No.: 118337-33-0
• Molecular Formula: C11H9BrOS
• Molecular Weight: 269.16
• Hs Code.: 2934999090
• European Community (EC) Number: 672-964-6
• DSSTox Substance ID: DTXSID40381582
• Wikidata: Q82172483
• Mol file: 118337-33-0.mol

Synonyms:118337-33-0;2-bromo-1-(3-methylbenzo[b]thiophen-2-yl)ethan-1-one;2-(bromoacetyl)-3-methylbenzo[b]thiophene;2-bromo-1-(3-methyl-1-benzothiophen-2-yl)ethanone;2-Bromo-1-(3-methylbenzo[b]thiophen-2-yl)ethanone;2-bromo-1-(3-methyl-1-benzothiophen-2-yl)ethan-1-one;2-bromo-1-(3-methylbenzo[b]thiophen-2-yl)-ethan-1-one;2-bromo-1-(3-methyl-benzo[b]thiophen-2-yl)-ethanone;C11H9BrOS;2-bromo-1-(3-methyl-1-benzothien-2-yl)ethanone;Ethanone,2-bromo-1-(3-methylbenzo[b]thien-2-yl)-;SCHEMBL2099000;DTXSID40381582;PIQSJBQPXDKSHF-UHFFFAOYSA-N;MFCD00173793;2-Bromoacetyl-3-methyl-benzothiophene;AKOS001187931;PS-9904;FT-0611337;EN300-15170;A893179;F0001-0299;Z118430528;2-Bromo-1-(3-methylbenzo[b]thiophen-2-2-yl)ethan-1-one

Chemical Property of 2-Bromo-1-(3-methylbenzo[b]thiophen-2-yl)ethan-1-one

Chemical Property:

• Appearance/Colour: cream solid.
• Vapor Pressure: 1.73E-06mmHg at 25°C
• Melting Point: 94-97 °C
• Refractive Index: 1.676
• Boiling Point: 365.2 °C at 760 mmHg
• Flash Point: 174.6 °C
• PSA: 45.31000
• Density: 1.546 g/cm³
• LogP: 3.78730
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 267.95575
• Heavy Atom Count: 14
• Complexity: 231

Purity/Quality:

98%min ^*data from raw suppliers

2-Bromo-1-(3-methylbenzo[b]thiophen-2-yl)ethan-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(SC2=CC=CC=C12)C(=O)CBr