2-Hydroxy-4-nitrobenzaldehyde - CAS 2460-58-4

Name: 2-Hydroxy-4-nitrobenzaldehyde
Brand: BOC Sciences
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Catalog:	BB018546
Product Name:	2-Hydroxy-4-nitrobenzaldehyde
CAS:	2460-58-4
Synonyms:	2-hydroxy-4-nitrobenzaldehyde; 2-hydroxy-4-nitrobenzaldehyde

Technical Data

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Computed Properties

IUPAC Name:	2-hydroxy-4-nitrobenzaldehyde
Description:	2-Hydroxy-4-nitrobenzaldehyde (CAS# 2460-58-4) is a compound useful in organic synthesis.
Molecular Weight:	167.12
Molecular Formula:	C7H5NO4
Canonical SMILES:	C1=CC(=C(C=C1[N+](=O)[O-])O)C=O
InChI:	InChI=1S/C7H5NO4/c9-4-5-1-2-6(8(11)12)3-7(5)10/h1-4,10H
InChI Key:	HHDPXULKSZZACU-UHFFFAOYSA-N
Boiling Point:	309.2 °C at 760 mmHg
Density:	1.5 g/cm³
Appearance:	Yellow crystalline solid
LogP:	1.63610

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Related Functional Groups

Carbonyl Compounds

[87-88-7]C6H2Cl2O4
Chloranilic acid
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[956439-56-8]C6H5N3O6
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[70912-52-6]C10H13NO4
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[1431966-64-1]C10H17ClN2O2S
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2021105916-A1	Sulfonamide compounds targeting cd73 and adenosine receptors	20191126
JP-2020125464-A	Composition containing bisphenol compound	20190201
CN-109651199-A	A kind of histon deacetylase (HDAC) and the double target spot inhibitor of micro-pipe and preparation method thereof	20190108
WO-2020069625-A1	Transcription factor brn2 inhibitory compounds as therapeutics and methods for their use	20181003
EP-3860994-A1	Transcription factor brn2 inhibitory compounds as therapeutics and methods for their use	20181003

PMID	Publication Date	Title	Journal
21523547	20120101	Interference of H-bonding and substituent effects in nitro- and hydroxy-substituted salicylaldehydes	Journal of molecular modeling
19209317	20090121	A novel approach for the design of a highly selective sulfate-ion-selective electrode	Chemical communications (Cambridge, England)

Complexity:	188
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	167.02185764
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	167.02185764
Rotatable Bond Count:	1
Topological Polar Surface Area:	83.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2