Methyl 2-(bromomethyl)acrylate - CAS 4224-69-5
Catalog: |
BB025086 |
Product Name: |
Methyl 2-(bromomethyl)acrylate |
CAS: |
4224-69-5 |
Synonyms: |
methyl 2-(bromomethyl)prop-2-enoate |
IUPAC Name: | methyl 2-(bromomethyl)prop-2-enoate |
Description: | Methyl 2-(bromomethyl)acrylate (CAS# 4224-69-5) is a useful research chemical. |
Molecular Weight: | 179.01 |
Molecular Formula: | C5H7BrO2 |
Canonical SMILES: | COC(=O)C(=C)CBr |
InChI: | InChI=1S/C5H7BrO2/c1-4(3-6)5(7)8-2/h1,3H2,2H3 |
InChI Key: | CFTUQSLVERGMHL-UHFFFAOYSA-N |
Boiling Point: | 35-37 °C (13 mmHg) |
Purity: | 95 % |
Density: | 1.489 g/cm3 |
Appearance: | Clear colorless to slightly brownish liquid |
Storage: | 2-8 °C |
MDL: | MFCD00011697 |
LogP: | 1.11050 |
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, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
22128876 | 20120112 | Studies toward novel peptidomimetic inhibitors of thioredoxin-thioredoxin reductase system | Journal of medicinal chemistry |
20936869 | 20101105 | Stereoselective α,α'-annelation reactions of 1,3-dioxan-5-ones | The Journal of organic chemistry |
20729083 | 20101001 | Structure-activity relationships of tulipalines, tuliposides, and related compounds as inhibitors of MurA | Bioorganic & medicinal chemistry letters |
18722130 | 20080915 | Synthesis and biological properties of 2-methylene-19-nor-25-dehydro-1alpha-hydroxyvitamin D(3)-26,23-lactones--weak agonists | Bioorganic & medicinal chemistry |
Complexity: | 109 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 177.96294 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.96294 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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