4-bromo-2,5-dimethoxybenzaldehyde - CAS 31558-41-5
Catalog: |
BB020971 |
Product Name: |
4-bromo-2,5-dimethoxybenzaldehyde |
CAS: |
31558-41-5 |
Synonyms: |
4-bromo-2,5-dimethoxybenzaldehyde; 4-bromo-2,5-dimethoxybenzaldehyde |
IUPAC Name: | 4-bromo-2,5-dimethoxybenzaldehyde |
Description: | 4-bromo-2,5-dimethoxybenzaldehyde (CAS# 31558-41-5) is used as a reagent in the synthesis of chalcones and aurones as selective MAO-B inhibitors. 4-Bromo-2,5-dimethoxybenzaldehyde is also used as a reagent in the preparation of new aryloxyindole-4,9-diones as potent trypanosomicidal agents. |
Molecular Weight: | 245.07 |
Molecular Formula: | C9H9BrO3 |
Canonical SMILES: | COC1=CC(=C(C=C1C=O)OC)Br |
InChI: | InChI=1S/C9H9BrO3/c1-12-8-4-7(10)9(13-2)3-6(8)5-11/h3-5H,1-2H3 |
InChI Key: | BIFWGDWGCZLCHF-UHFFFAOYSA-N |
Boiling Point: | 337.1 °C at 760 mmHg |
Melting Point: | 132-135 °C |
Purity: | 95 % |
Density: | 1.482 g/cm3 |
MDL: | MFCD00156964 |
LogP: | 2.27880 |
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, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112625200-A | Covalent organic framework material and preparation method thereof | 20201203 |
WO-2021055295-A1 | Brd9 bifunctional degraders and their methods of use | 20190916 |
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Complexity: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 243.97351 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 243.97351 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 35.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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