5-Bromo-2-hydroxy-3-methoxybenzaldehyde - CAS 5034-74-2
Catalog: |
BB027022 |
Product Name: |
5-Bromo-2-hydroxy-3-methoxybenzaldehyde |
CAS: |
5034-74-2 |
Synonyms: |
5-bromo-2-hydroxy-3-methoxybenzaldehyde |
IUPAC Name: | 5-bromo-2-hydroxy-3-methoxybenzaldehyde |
Description: | 5-Bromo-2-hydroxy-3-methoxybenzaldehyde (CAS# 5034-74-2) is a useful research chemical. |
Molecular Weight: | 231.04 |
Molecular Formula: | C8H7BrO3 |
Canonical SMILES: | COC1=C(C(=CC(=C1)Br)C=O)O |
InChI: | InChI=1S/C8H7BrO3/c1-12-7-3-6(9)2-5(4-10)8(7)11/h2-4,11H,1H3 |
InChI Key: | MMFKBTPDEVLIOR-UHFFFAOYSA-N |
Boiling Point: | 277.2 °C at 760 mmHg |
Density: | 1.653 g/cm3 |
Appearance: | Brown powder |
MDL: | MFCD00016593 |
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 |
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PMID | Publication Date | Title | Journal |
27569861 | 20161025 | 5-Bromo-2-hydroxy-4-methyl-benzaldehyde inhibited LPS-induced production of pro-inflammatory mediators through the inactivation of ERK, p38, and NF-κB pathways in RAW 264.7 macrophages | Chemico-biological interactions |
22412429 | 20120301 | {4,4'-Dibromo-6,6'-dimeth-oxy-2,2'-[1,2-phenyl-enebis(nitrilo-methanylyl-idene)]-κO,N,N',O}nickel(II) | Acta crystallographica. Section E, Structure reports online |
22412698 | 20120301 | (2E)-2-(5-Bromo-2-hy-droxy-3-meth-oxy-benzyl-idene)-N-cyclo-hexyl-hydrazine-carbothio-amide | Acta crystallographica. Section E, Structure reports online |
22412710 | 20120301 | 4-Bromo-2-meth-oxy-6-(1-phenyl-1H-benzimidazol-2-yl)phenol | Acta crystallographica. Section E, Structure reports online |
22065413 | 20111001 | (E)-N'-(5-Bromo-2-hy-droxy-3-meth-oxy-benzyl-idene)-1H-indole-3-carbo-hydrazide | Acta crystallographica. Section E, Structure reports online |
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: | 2.1 |
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