α-Bromo-γ-butyrolactone - CAS 5061-21-2
Catalog: |
BB027140 |
Product Name: |
α-Bromo-γ-butyrolactone |
CAS: |
5061-21-2 |
Synonyms: |
3-bromooxolan-2-one |
IUPAC Name: | 3-bromooxolan-2-one |
Description: | Lactams inhibit type Q arylesterase activity of human serum paraoxonase PON1. |
Molecular Weight: | 164.99 |
Molecular Formula: | C4H5BrO2 |
Canonical SMILES: | C1COC(=O)C1Br |
InChI: | InChI=1S/C4H5BrO2/c5-3-1-2-7-4(3)6/h3H,1-2H2 |
InChI Key: | LFJJGHGXHXXDFT-UHFFFAOYSA-N |
Boiling Point: | 138 °C |
Flash Point: | >110°C |
Purity: | 98 % |
Density: | 1.786 g/cm3 |
Appearance: | Pale yellow liquid |
Storage: | 2-8°C |
LogP: | 0.69680 |
Refractive Index: | 1.505-1.509 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
15909954 | 20041201 | Synthesis of novel N-alkyl carbamates of a-substituted amides of g-hydroxybutyric acid as potential acetylcholinesterase inhibitors | Acta poloniae pharmaceutica |
12728991 | 20030201 | (E)-2-(2-Hydroxyethylidene)-6-methyl-5-heptenal (alpha-acariolal) and (E)-2-(2-hydroxyethyl)-6-methyl-2,5-heptadienal (beta-acariolal), two new types of isomeric monoterpenes from Caloglyphus polyphyllae (Acari: Acaridae) | Bioscience, biotechnology, and biochemistry |
11866095 | 20020101 | 3-(4-Methyl-3-pentenyl)-2(5H)-furanone, alpha,alpha-acariolide and 4-(4-methyl-3-pentenyl)-2(5H)-furanone, alpha,beta-acariolide: new monoterpene lactones from the astigmatid mites, Schwiebea araujoae and Rhizoglyphus sp. (Astigmata: Acaridae) | Bioscience, biotechnology, and biochemistry |
Complexity: | 91.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 163.94729 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 163.94729 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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