Diethyl 2-bromo-2-methylmalonate - CAS 29263-94-3
Catalog: |
BB020157 |
Product Name: |
Diethyl 2-bromo-2-methylmalonate |
CAS: |
29263-94-3 |
Synonyms: |
diethyl 2-bromo-2-methylpropanedioate |
IUPAC Name: | diethyl 2-bromo-2-methylpropanedioate |
Description: | Diethyl 2-bromo-2-methylmalonate (CAS# 29263-94-3) is a useful research chemical. |
Molecular Weight: | 253.09 |
Molecular Formula: | C8H13BrO4 |
Canonical SMILES: | CCOC(=O)C(C)(C(=O)OCC)Br |
InChI: | InChI=1S/C8H13BrO4/c1-4-12-6(10)8(3,9)7(11)13-5-2/h4-5H2,1-3H3 |
InChI Key: | CSLQAXTUGPUBCW-UHFFFAOYSA-N |
Boiling Point: | 105-106 °C (5 mmHg) |
Purity: | 95 % |
Density: | 1.325 g/cm3 |
Appearance: | Clear colourless liquid |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00009125 |
LogP: | 1.26620 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-112409552-A | Photo-induced free radical polymerization method | 20201125 |
CN-112409552-B | Photo-induced free radical polymerization method | 20201125 |
CN-111777540-A | Method for synthesizing pyrrolidone compound by continuous light-induced catalysis | 20200723 |
CN-111777540-B | Method for synthesizing pyrrolidone compound by continuous light-induced catalysis | 20200723 |
WO-2021150574-A1 | Sulfonimidamide compounds as nlrp3 modulators | 20200122 |
Complexity: | 184 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 251.99972 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 251.99972 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 52.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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