Tropolone - CAS 533-75-5

Catalog:	BB028184
Product Name:	Tropolone
CAS:	533-75-5
Synonyms:	Purpurocatechol

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	2-hydroxycyclohepta-2,4,6-trien-1-one
Description:	A bactericidal antibiotic composed of a seven membered aromatic ring.
Molecular Weight:	122.12
Molecular Formula:	C7H6O2
Canonical SMILES:	C1=CC=C(C(=O)C=C1)O
InChI:	InChI=1S/C7H6O2/c8-6-4-2-1-3-5-7(6)9/h1-5H,(H,8,9)
InChI Key:	MDYOLVRUBBJPFM-UHFFFAOYSA-N
Boiling Point:	290.1±33.0 ℃ at 760 mmHg
Melting Point:	49-52 ℃
Flash Point:	>230°F
Purity:	≥ 99 %
Density:	1.278 g/cm³
Solubility:	Soluble in Chloroform, Ethanol
Appearance:	Off-white solid
Storage:	Store at 2-8 ℃
LogP:	0.75240
Refractive Index:	1.5286 (estimate)
Vapor Pressure:	0.000679 [mmHg]

Publication Number	Title	Priority Date
KR-102306348-B1	Eco-friendly hybrid surface protection coating composition for water-treated concrete structures exposed to high-humidity environment and surface protection construction method for concrete structures exposed to high-humidity environment using the same	20210817
CN-113373123-A	Tyrosinase mutant and application thereof	20210730
CN-113292715-A	PO/EO block copolymer surfactant, preparation method and high-speed tinning additive composition	20210525
CN-113336870-A	Tropolone-chitosan derivative and preparation method and application thereof	20210521
KR-102296492-B1	Natural waterproof eye pencil cosmetic composition and method for manufacturing natural waterproof eye pencil cosmetic through the same	20210407

PMID	Publication Date	Title	Journal
29098212	20171219	Synthesis and biological assessment of 3,7-dihydroxytropolones	Organic & biomolecular chemistry
25044443	20160101	Hinokitiol induces autophagy in murine breast and colorectal cancer cells	Environmental toxicology
24900743	20130808	Tropolones as lead-like natural products: the development of potent and selective histone deacetylase inhibitors	ACS medicinal chemistry letters
23032214	20121121	The furan route to tropolones: probing the antiproliferative effects of β-thujaplicin analogs	Organic & biomolecular chemistry
22885403	20121101	Effects of known phenoloxidase inhibitors on hemocyanin-derived phenoloxidase from Limulus polyphemus	Comparative biochemistry and physiology. Part B, Biochemistry & molecular biology

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Related Functional Groups

Carbonyl Compounds

[17746-05-3]
Undecanoyl chloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene

GHS Hazard Statement:	H314 (93.75%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P261, P264, P272, P273, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P333+P313, P363, P391, P405, and P501
Signal Word:	Danger

Complexity:	209
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	122.036779430
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	122.036779430
Rotatable Bond Count:	0
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5