2-Bromo-3-hydroxy-4-methoxybenzaldehyde - CAS 2973-58-2
Catalog: |
BB020294 |
Product Name: |
2-Bromo-3-hydroxy-4-methoxybenzaldehyde |
CAS: |
2973-58-2 |
Synonyms: |
2-bromo-3-hydroxy-4-methoxybenzaldehyde |
IUPAC Name: | 2-bromo-3-hydroxy-4-methoxybenzaldehyde |
Description: | Taspine intermediate. |
Molecular Weight: | 231.04 |
Molecular Formula: | C8H7BrO3 |
Canonical SMILES: | COC1=C(C(=C(C=C1)C=O)Br)O |
InChI: | InChI=1S/C8H7BrO3/c1-12-6-3-2-5(4-10)7(9)8(6)11/h2-4,11H,1H3 |
InChI Key: | QPDFBPIHEDAUKK-UHFFFAOYSA-N |
Boiling Point: | 289.5 ℃ at 760 mmHg |
Melting Point: | 202-207 ℃ (lit.) |
Purity: | 95 % |
Density: | 1.653 g/cm3 |
Appearance: | Off-white solid |
MDL: | MFCD02380230 |
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-110903253-A | Quinazolinone compound and preparation method and application thereof | 20191213 |
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PMID | Publication Date | Title | Journal |
21419150 | 20110501 | Proteomic profiling revealed the functional networks associated with mitotic catastrophe of HepG2 hepatoma cells induced by 6-bromine-5-hydroxy-4-methoxybenzaldehyde | Toxicology and applied pharmacology |
20698500 | 20100903 | Total synthesis of pareitropone via radical anion coupling | Organic letters |
17316978 | 20070718 | Induction of apoptosis and autophagic cell death by the vanillin derivative 6-bromine-5-hydroxy-4-methoxybenzaldehyde is accompanied by the cleavage of DNA-PKcs and rapid destruction of c-Myc oncoprotein in HepG2 cells | Cancer letters |
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: | 1.5 |
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