5-Hydroxy-2-nitrobenzaldehyde - CAS 42454-06-8

Name: 5-Hydroxy-2-nitrobenzaldehyde
Brand: BOC Sciences
Rating: 5 (1 reviews)

Technical Data

IUPAC Name:	5-hydroxy-2-nitrobenzaldehyde
Description:	5-Hydroxy-2-nitrobenzaldehyde can be reacted with sodium borohydride (S614900) to yield 5-Hydroxy-2-nitrobenzyl alcohol. 5-Hydroxy-2-nitrobenzaldehyde can also be used as a reagent with Cyano-acetohydrazide in methanol to obtain 2-Cyano-N'(5-hydroxy-2-nitrobenzyl-idene)acetohydrazide Monohydrate.
Molecular Weight:	167.12
Molecular Formula:	C7H5NO4
Canonical SMILES:	C1=CC(=C(C=C1O)C=O)[N+](=O)[O-]
InChI:	InChI=1S/C7H5NO4/c9-4-5-3-6(10)1-2-7(5)8(11)12/h1-4,10H
InChI Key:	XLYPHUGUKGMURE-UHFFFAOYSA-N
Boiling Point:	373 °C at 760 mmHg
Melting Point:	165-169 °C
Purity:	95 %
Density:	1.5 g/cm³
MDL:	MFCD00007332
LogP:	1.63610

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
22412480	20120301	2-Hy-droxy-N'-(5-hy-droxy-2-nitro-benzyl-idene)-3-methyl-benzohydrazide	Acta crystallographica. Section E, Structure reports online
22091036	20110801	2-Cyano-N'-(5-hy-droxy-2-nitro-benzyl-idene)acetohydrazide monohydrate	Acta crystallographica. Section E, Structure reports online
21579789	20100116	2-Chloro-N'-(5-hydr-oxy-2-nitro-benzyl-idene)benzohydrazide	Acta crystallographica. Section E, Structure reports online
21577874	20090909	(E)-4-Chloro-N'-(5-hydr-oxy-2-nitro-benzyl-idene)benzohydrazide	Acta crystallographica. Section E, Structure reports online
15002968	20040301	Solid-phase synthesis of tetrahydro-1,4-benzodiazepine-2-one derivatives as a beta-turn peptidomimetic library	Journal of combinatorial chemistry

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:	0.9