Dimethyl bromomalonate - CAS 868-26-8
Catalog: |
BB038072 |
Product Name: |
Dimethyl bromomalonate |
CAS: |
868-26-8 |
Synonyms: |
dimethyl 2-bromopropanedioate |
IUPAC Name: | dimethyl 2-bromopropanedioate |
Description: | Dimethyl bromomalonate (CAS# 868-26-8) is a useful research chemical. |
Molecular Weight: | 211.01 |
Molecular Formula: | C5H7BrO4 |
Canonical SMILES: | COC(=O)C(C(=O)OC)Br |
InChI: | InChI=1S/C5H7BrO4/c1-9-4(7)3(6)5(8)10-2/h3H,1-2H3 |
InChI Key: | NEMOJKROKMMQBQ-UHFFFAOYSA-N |
Boiling Point: | 105-108 °C11 mmHg (lit.) |
Purity: | 95 % |
Density: | 1.601 g/cm3 |
Appearance: | Clear colorless to light yellow liquid |
MDL: | MFCD00025865 |
LogP: | 0.09590 |
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-111217834-A | Nitroxide derivatives of ROCK kinase inhibitors | 20200221 |
AU-2020403705-A1 | Nitroxide derivative of rock kinase inhibitor | 20200221 |
EP-3901156-A1 | Nitrooxyderivative of rock kinase inhibitor | 20200221 |
WO-2021164351-A1 | Nitrooxyderivative of rock kinase inhibitor | 20200221 |
JP-2021130079-A | Liquid fixed quantity discharge device | 20200218 |
PMID | Publication Date | Title | Journal |
19260703 | 20090402 | Highly enantioselective synthesis of nitrocyclopropanes via organocatalytic conjugate addition of bromomalonate to alpha,beta-unsaturated nitroalkenes | Organic letters |
Complexity: | 129 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 209.95277 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 209.95277 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 52.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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