CAS
939-53-7 Purity
96%
939-53-7 Purity
96%
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2-Bromoethyl benzoate
CAS
939-54-8
Catalog Number
ACM939548
Category
Other Products
Molecular Weight
229.07
Molecular Formula
C9H9BrO2
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Specification
Canonical SMILES
C1=CC=C(C=C1)C(=O)OCCBr
Boiling Point
285 °C
Application
2-Bromoethyl Benzoate (2BEB) is a quaternary ammonium salt that exhibits antiviral activity. This compound hydrolyzes the ester bond of 2-bromoethanol to form 2-bromoethyl benzoate and ethanol. The alkylation process occurs in the presence of an organometallic catalyst, such as copper or silver, with an alkylating agent such as methyl iodide.
What is the molecular formula of 2-Bromoethyl benzoate?
The molecular formula of 2-Bromoethyl benzoate is C9H9BrO2.
What is the molecular weight of 2-Bromoethyl benzoate?
The molecular weight of 2-Bromoethyl benzoate is 229.07 g/mol.
What is the IUPAC name of 2-Bromoethyl benzoate?
The IUPAC name of 2-Bromoethyl benzoate is 2-bromoethyl benzoate.
What is the InChI of 2-Bromoethyl benzoate?
The InChI of 2-Bromoethyl benzoate is InChI=1S/C9H9BrO2/c10-6-7-12-9(11)8-4-2-1-3-5-8/h1-5H,6-7H2.
What is the InChIKey of 2-Bromoethyl benzoate?
The InChIKey of 2-Bromoethyl benzoate is KNBBDZULQFKSIE-UHFFFAOYSA-N.
What is the Canonical SMILES of 2-Bromoethyl benzoate?
The Canonical SMILES of 2-Bromoethyl benzoate is C1=CC=C(C=C1)C(=O)OCCBr.
What is the CAS number of 2-Bromoethyl benzoate?
The CAS number of 2-Bromoethyl benzoate is 939-54-8.
What is the European Community (EC) number of 2-Bromoethyl benzoate?
The European Community (EC) number of 2-Bromoethyl benzoate is 628-389-8.
What is the DSSTox Substance ID of 2-Bromoethyl benzoate?
The DSSTox Substance ID of 2-Bromoethyl benzoate is DTXSID30335150.
Is 2-Bromoethyl benzoate a canonicalized compound?
Yes, 2-Bromoethyl benzoate is a canonicalized compound.
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