2-(3-Bromothiophen-2-yl)ethanol
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Basic information
- CAS
141811-49-6- Standard SMILES
OCCc1sccc1Br- InChIKey
KCZAFTAJOFCEPQ-UHFFFAOYSA-N- Molecular formula
- C6H7BrOS
- Average molar mass
- 207.09 g/mol
Names & identifiers
- Preferred name
- 2-(3-Bromothiophen-2-yl)ethanol
- IUPAC
- 2-(3-bromothiophen-2-yl)ethanol
- English name
- 2-(3-bromothiophen-2-yl)ethanol
- Molecular formula
- C6H7BrOS
- Molecular weight
- 207.09
Names & synonyms
141811-49-62-(3-bromothiophen-2-yl)ethan-1-ol2-(3-bromothiophen-2-yl)ethanolSCHEMBL73801022-(3-Bromo-2-thienyl)ethanolSCHEMBL28450997RFA81149AKOS013284450DA-10458EN300-192582G904672-Thiopheneethanol, 3-bromo-
Show more names
3-bromo-2-(2-hydroxyethyl)thiophene
Database identifiers
- CAS
141811-49-6
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 48.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 89.1
Physicochemical properties
- Boiling point
- 270.3 · 270.3±25.0 °C(Predicted)
- Density
- 1.651 · 1.651±0.06 g/cm3(Predicted)
- pka
- 14.39 · 14.39±0.10(Predicted)
- InChI
- InChI=1S/C6H7BrOS/c7-5-2-4-9-6(5)1-3-8/h2,4,8H,1,3H2
- InChIKey
- KCZAFTAJOFCEPQ-UHFFFAOYSA-N
- SMILES
- C1(CCO)SC=CC=1Br
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Description2-(3-Bromothiophen-2-yl)ethanol, also known as 2-(3-bromothiophen-2-yl)ethanol, is an organic compound with the chemical formula C6H5BrSCH2CH2OH. It is a colorless liquid with a strong sulfur-like odor. It is used in various scientific research applications, including in the synthesis of pharmaceuticals, as a reagent in organic synthesis, and as a catalyst for cyclization reactions. It is also used as a corrosion inhibitor in the petroleum industry.
Uses2-(3-Bromothiophen-2-yl)ethan-1-ol is a useful reagent in the copper halide catalyzed synthesis of alkyl aryl and alkyl heteroaryl ethers.
Related reactions
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Compound notes
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