2-Bromo-4-hydroxy-5-methoxybenzaldehyde - CAS 60632-40-8

Catalog:	BB030756
Product Name:	2-Bromo-4-hydroxy-5-methoxybenzaldehyde
CAS:	60632-40-8
Synonyms:	2-bromo-4-hydroxy-5-methoxybenzaldehyde; 2-bromo-4-hydroxy-5-methoxybenzaldehyde

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Computed Properties

IUPAC Name:	2-bromo-4-hydroxy-5-methoxybenzaldehyde
Description:	2-Bromo-4-hydroxy-5-methoxybenzaldehyde (CAS# 60632-40-8) is used in the synthesis of Carbidopa (C175915), an inhibitor of aromatic amino acid decarboxylase.
Molecular Weight:	231.04
Molecular Formula:	C8H7BrO3
Canonical SMILES:	COC1=C(C=C(C(=C1)C=O)Br)O
InChI:	InChI=1S/C8H7BrO3/c1-12-8-2-5(4-10)6(9)3-7(8)11/h2-4,11H,1H3
InChI Key:	FVNRNBGSHCWQPD-UHFFFAOYSA-N
Boiling Point:	326.2 °C at 760 mmHg
Density:	1.653 g/cm³
MDL:	MFCD01119128
LogP:	1.97580

Publication Number	Title	Priority Date
CN-112592343-A	Polycyclic compound and application thereof as antiviral drug	20191001
WO-2020094928-A1	Process for the preparation of 4,5-dihydroxy-2-(4-methylbenzyl)isophthalonitrile	20181109
CN-113166042-A	Method for preparing 4, 5-dihydroxy-2- (4-methylbenzyl) isophthalonitrile	20181109
EP-3877360-A1	Process for the preparation of 4,5-dihydroxy-2-(4-methylbenzyl)isophthalonitrile	20181109
WO-2019127746-A1	Phenylpropionate compound, preparation method for same, and applications thereof	20171230

PMID	Publication Date	Title	Journal
22346897	20120201	5-Bromo-2-meth-oxy-4-{[(4-meth-oxy-phen-yl)imino]-meth-yl}phenol monohydrate	Acta crystallographica. Section E, Structure reports online

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[5000-66-8]
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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P285, P301+P312, P304+P341, P330, P342+P311, and P501
Signal Word:	Danger

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