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

Technical Data

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Computed Properties

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

Publication Number	Title	Priority Date
WO-2021191882-A1	Antimalarial agent, methods and uses thereof	20200327
CN-113493433-A	Benzopyrone derivative capable of being used as GPR35 receptor agonist, preparation method and application thereof	20200318
WO-2021072198-A1	Oral complement factor d inhibitors	20191009
US-2021041423-A1	Fluorescent turn-on chemosensors for detection of aluminum ion and azide	20190807
US-2020308163-A1	Compounds and compositions as modulators of tlr signaling	20190326

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

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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

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