Ethyl 3-bromopropionate - CAS 539-74-2
Catalog: |
BB028425 |
Product Name: |
Ethyl 3-bromopropionate |
CAS: |
539-74-2 |
Synonyms: |
ethyl 3-bromopropanoate |
IUPAC Name: | ethyl 3-bromopropanoate |
Description: | Ethyl 3-bromopropionate (CAS# 539-74-2) is a useful research chemical. |
Molecular Weight: | 181.03 |
Molecular Formula: | C5H9BrO2 |
Canonical SMILES: | CCOC(=O)CCBr |
InChI: | InChI=1S/C5H9BrO2/c1-2-8-5(7)3-4-6/h2-4H2,1H3 |
InChI Key: | FQTIYMRSUOADDK-UHFFFAOYSA-N |
Boiling Point: | 135-136 °C (50 mmHg) |
Density: | 1.412 g/cm3 |
Appearance: | Liquid with a pungent odor |
MDL: | MFCD00000251 |
LogP: | 1.33450 |
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 |
Publication Number | Title | Priority Date |
CN-113429387-A | Benzo [ b ] selenophen STING regulating agent, preparation method and application thereof | 20210727 |
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PMID | Publication Date | Title | Journal |
15747693 | 20040901 | Research on the connections of isoindole derivatives and ethyl esters of formic, acetic and propionic acids | Acta poloniae pharmaceutica |
Complexity: | 72.8 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 179.97859 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 179.97859 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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