5-Bromovanillin - CAS 2973-76-4
Catalog: |
BB020296 |
Product Name: |
5-Bromovanillin |
CAS: |
2973-76-4 |
Synonyms: |
3-bromo-4-hydroxy-5-methoxybenzaldehyde |
IUPAC Name: | 3-bromo-4-hydroxy-5-methoxybenzaldehyde |
Description: | 5-Bromovanillin (CAS# 2973-76-4) is a chemical reagent used in organic synthesis such as the preparation of combretastatin A-4. |
Molecular Weight: | 231.04 |
Molecular Formula: | C8H7BrO3 |
Canonical SMILES: | COC1=C(C(=CC(=C1)C=O)Br)O |
InChI: | InChI=1S/C8H7BrO3/c1-12-7-3-5(4-10)2-6(9)8(7)11/h2-4,11H,1H3 |
InChI Key: | KLSHZDPXXKAHIJ-UHFFFAOYSA-N |
Boiling Point: | 289.5 °C at 760 mmHg |
Melting Point: | 164-166 °C |
Purity: | 95 % |
Density: | 1.653 g/cm3 |
Appearance: | Light brown crystalline powder |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00006940 |
LogP: | 1.97580 |
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-113073347-A | Method for electrochemically synthesizing syringaldehyde by taking water as oxygen source | 20210325 |
CN-113045578-A | Novel total synthesis method of racemic tetrandrine | 20210318 |
CN-112679400-A | Psamaplin A derivative and preparation method and application thereof | 20201225 |
CN-111848516-A | Bromophenol-pyrazoline compound and synthetic method and application thereof | 20200804 |
CN-111518108-A | Complete synthesis method of optically pure tetrandrine | 20200326 |
PMID | Publication Date | Title | Journal |
33823243 | 20210601 | Vanillin exerts therapeutic effects against hyperglycemia-altered glucose metabolism and purinergic activities in testicular tissues of diabetic rats | Reproductive toxicology (Elmsford, N.Y.) |
29216766 | 20180901 | Vanillin mitigates the adverse impact of cisplatin and methotrexate on rat kidneys | Human & experimental toxicology |
29222099 | 20180215 | Isolation of the (+)-Pinoresinol-Mineralizing Pseudomonas sp. Strain SG-MS2 and Elucidation of Its Catabolic Pathway | Applied and environmental microbiology |
26296324 | 20161201 | Altered hepatic mRNA expression of immune response-associated DNA damage in mice liver induced by potassium bromate: Protective role of vanillin | Environmental toxicology |
27074584 | 20160525 | Vanillin mitigates potassium bromate-induced molecular, biochemical and histopathological changes in the kidney of adult mice | Chemico-biological interactions |
Complexity: | 162 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 229.95786 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 229.95786 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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