1-Bromo-4-hydroxy-2-butanone (>90%) - CAS 1138728-96-7
Catalog: |
BB062008 |
Product Name: |
1-Bromo-4-hydroxy-2-butanone (>90%) |
CAS: |
1138728-96-7 |
Synonyms: |
1-bromo-4-hydroxy-2-butanone; 1-bromo-4-hydroxybutan-2-one |
IUPAC Name: | 1-bromo-4-hydroxybutan-2-one |
Description: | 1-Bromo-4-hydroxy-2-butanone Is an intermediate in the synthesis of 3-Ethyl-2,5-pyrazinediethanol (E925605), an impurity of Clavulanic Acid (C563750), an degradation product that decrease glycerol consumption and oxygen uptake rates in cultures of Streptomyces clavuligerus. |
Molecular Weight: | 167 |
Molecular Formula: | C4H7BrO2 |
Canonical SMILES: | C(CO)C(=O)CBr |
InChI: | InChI=1S/C4H7BrO2/c5-3-4(7)1-2-6/h6H,1-3H2 |
InChI Key: | IBGNXNJJIJMFTR-UHFFFAOYSA-N |
Solubility: | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly) |
Appearance: | Clear Colorless to Pale Yellow Oil |
Storage: | 4°C, Inert atmosphere |
References: | Alper, H., et al. Science, 314, 1565 (2006), Brethauer, S., et al. Biotechnol. Bioeng., 98, 356 (2007),. |
Complexity: | 62.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 165.96294 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 165.96294 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 37.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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