5-Bromo-2-nitrobenzaldehyde - CAS 20357-20-4
Catalog: |
BB015826 |
Product Name: |
5-Bromo-2-nitrobenzaldehyde |
CAS: |
20357-20-4 |
Synonyms: |
5-bromo-2-nitrobenzaldehyde; 5-bromo-2-nitrobenzaldehyde |
IUPAC Name: | 5-bromo-2-nitrobenzaldehyde |
Description: | 5-Bromo-2-nitrobenzaldehyde (CAS# 20357-20-4) is a cholesteryl ester transfer protein (CETP) inhibitor. 2-Bromo-5-nitrobenzaldehyde is a commonly used reactant for the synthesis of (-)-Linarinic acid derivatives as neuroprotective agents against oxygen glucose deprivation (OGD)-induced cell damage. |
Molecular Weight: | 230.02 |
Molecular Formula: | C7H4BrNO3 |
Canonical SMILES: | C1=CC(=C(C=C1Br)C=O)[N+](=O)[O-] |
InChI: | InChI=1S/C7H4BrNO3/c8-6-1-2-7(9(11)12)5(3-6)4-10/h1-4H |
InChI Key: | UFRVBZVJVRHSNR-UHFFFAOYSA-N |
Boiling Point: | 330.5 ℃ at 760 mmHg |
Density: | 1.781 g/cm3 |
MDL: | MFCD00456508 |
LogP: | 2.69300 |
GHS Hazard Statement: | H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021139775-A1 | Pyridone compound and application | 20200110 |
WO-2021120890-A1 | Pyrazolyl derivatives useful as anti-cancer agents | 20191220 |
WO-2021124222-A1 | Pyrazolyl derivatives useful as anti-cancer agents | 20191220 |
KR-20210038042-A | 4-amino-quinazoline derivatives and antiviral composition comprising the same | 20190930 |
WO-2021014415-A2 | Small molecule inhibitors of acetyl coenzyme a synthetase short chain 2 (acss2) | 20190725 |
Complexity: | 192 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 228.93746 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 228.93746 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 62.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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