2-Hydroxy-5-methyl-1,3-benzenedicarboxaldehyde - CAS 7310-95-4

Name: 2-Hydroxy-5-methyl-1,3-benzenedicarboxaldehyde
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB034773
Product Name:	2-Hydroxy-5-methyl-1,3-benzenedicarboxaldehyde
CAS:	7310-95-4
Synonyms:	2-hydroxy-5-methylbenzene-1,3-dicarbaldehyde

Technical Data

IUPAC Name:	2-hydroxy-5-methylbenzene-1,3-dicarbaldehyde
Description:	2-Hydroxy-5-methyl-1,3-benzenedicarboxaldehyde (CAS# 7310-95-4) is a useful research chemical.
Molecular Weight:	164.16
Molecular Formula:	C9H8O3
Canonical SMILES:	CC1=CC(=C(C(=C1)C=O)O)C=O
InChI:	InChI=1S/C9H8O3/c1-6-2-7(4-10)9(12)8(3-6)5-11/h2-5,12H,1H3
InChI Key:	ZBOUXALQDLLARY-UHFFFAOYSA-N
Boiling Point:	237.4 °C at 760 mmHg
Melting Point:	128-130 °C (lit.)
Purity:	95 %
Density:	1.287 g/cm³
Appearance:	Light yellow to beige cryst. powder or needles
MDL:	MFCD00016596
LogP:	1.32560

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
22867034	20120820	Novel chemosensor for the visual detection of copper(II) in aqueous solution at the ppm level	Inorganic chemistry
22339539	20120305	Structures and magnetic properties of an antiferromagnetically coupled polymeric copper(II) complex and ferromagnetically coupled hexanuclear nickel(II) clusters	Inorganic chemistry
22159041	20120207	Trinuclear Cu(II) complexes of a chiral N6O3 amine	Dalton transactions (Cambridge, England : 2003)
22346872	20120201	Trichlorido{2-dimeth-oxy-methyl-4-methyl-6-[(quinolin-8-yl)imino-meth-yl]phenolato-κN,N',O}tin(IV)	Acta crystallographica. Section E, Structure reports online
21640641	20110901	Phenoxide bridged tetranuclear Co(II), Ni(II), Cu(II) and Zn(II) complexes: electrochemical, magnetic and antimicrobial studies	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy

Complexity:	161
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	164.047344113
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	164.047344113
Rotatable Bond Count:	2
Topological Polar Surface Area:	54.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4