2,4,6-Trihydroxybenzaldehyde - CAS 487-70-7

Catalog:	BB026592
Product Name:	2,4,6-Trihydroxybenzaldehyde
CAS:	487-70-7
Synonyms:	2,4,6-trihydroxybenzaldehyde

Technical Data

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Computed Properties

IUPAC Name:	2,4,6-trihydroxybenzaldehyde
Description:	2,4,6-Trihydroxybenzaldehyde (CAS# 487-70-7) is a useful research chemical.
Molecular Weight:	154.12
Molecular Formula:	C7H6O4
Canonical SMILES:	C1=C(C=C(C(=C1O)C=O)O)O
InChI:	InChI=1S/C7H6O4/c8-3-5-6(10)1-4(9)2-7(5)11/h1-3,9-11H
InChI Key:	BTQAJGSMXCDDAJ-UHFFFAOYSA-N
Boiling Point:	319.1 °C at 760 mmHg
Melting Point:	195 °C (dec.)(lit.)
Purity:	95 %
Density:	1.598 g/cm³
Appearance:	Pale pink crystalline powder
MDL:	MFCD00003329
LogP:	0.61590

Publication Number	Title	Priority Date
CN-113248465-A	Synthetic method of biochanin A	20210616
CN-113189090-A	Visual formaldehyde detection gel chip, portable formaldehyde detection device and preparation method thereof	20210319
CN-112851484-A	Method for synthesizing phloretin from naringenin	20210125
CN-112825992-A	Anthocyanin series beverage and preparation method thereof	20210107
CN-112452263-A	Carbon aerogel taking quick-cracking biological oil, phenol and formaldehyde as precursors and preparation method thereof	20201215

PMID	Publication Date	Title	Journal
22248148	20120208	Phlorotannins from brown algae (Fucus vesiculosus) inhibited the formation of advanced glycation endproducts by scavenging reactive carbonyls	Journal of agricultural and food chemistry
21599019	20110713	Anthocyanin-rich blackberry extract suppresses the DNA-damaging properties of topoisomerase I and II poisons in colon carcinoma cells	Journal of agricultural and food chemistry
21442756	20110404	Synthesis, activity testing and molybdenum(VI) complexation of Schiff bases derived from 2,4,6-trihydroxybenzaldehyde investigated as xanthine oxidase inhibitors	ChemMedChem
19454555	20110101	Health-Beneficial Phenolic Aldehyde in Antigonon leptopus Tea	Evidence-based complementary and alternative medicine : eCAM
20674809	20110101	Phospholipid bilayer formation on a variety of nanoporous oxide and organic xerogel films	Acta biomaterialia

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]
1-(2-Cyanophenyl)urea
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	135
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	154.02660867
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	154.02660867
Rotatable Bond Count:	1
Topological Polar Surface Area:	77.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9