Methyl 3-bromo-2-(bromomethyl)propionate - CAS 22262-60-8
Catalog: |
BB017479 |
Product Name: |
Methyl 3-bromo-2-(bromomethyl)propionate |
CAS: |
22262-60-8 |
Synonyms: |
methyl 3-bromo-2-(bromomethyl)propanoate |
IUPAC Name: | methyl 3-bromo-2-(bromomethyl)propanoate |
Description: | Methyl 3-bromo-2-(bromomethyl)propionate (CAS# 22262-60-8) is a useful research chemical. |
Molecular Weight: | 259.92 |
Molecular Formula: | C5H8Br2O2 |
Canonical SMILES: | COC(=O)C(CBr)CBr |
InChI: | InChI=1S/C5H8Br2O2/c1-9-5(8)4(2-6)3-7/h4H,2-3H2,1H3 |
InChI Key: | USXVPPOARMSYGY-UHFFFAOYSA-N |
Boiling Point: | 60-62 °C0.4 mmHg (lit.) |
Purity: | 95 % |
Density: | 1.82 g/mL at 25 °C (lit.) |
Appearance: | Colorless liquid |
MDL: | MFCD00011534 |
LogP: | 1.56540 |
GHS Hazard Statement: | H315 (97.56%): 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 |
WO-2019233456-A1 | Erk inhibitor and use thereof | 20180608 |
WO-2019233457-A1 | Erk inhibitor and use thereof | 20180608 |
TW-202016102-A | ERK inhibitor and its application | 20180608 |
TW-202016113-A | ERK inhibitor and its application | 20180608 |
AU-2019280356-A1 | ERK inhibitor and use thereof | 20180608 |
PMID | Publication Date | Title | Journal |
22128876 | 20120112 | Studies toward novel peptidomimetic inhibitors of thioredoxin-thioredoxin reductase system | Journal of medicinal chemistry |
Complexity: | 91 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 259.88706 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 257.88910 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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