Tropolone

Tropolone^[1]

Names
Preferred IUPAC name 2-Hydroxycyclohepta-2,4,6-trien-1-one
Other names 2-Hydroxytropone; Purpurocatechol
Identifiers
CAS Number	533-75-5 Y
3D model (JSmol)	Interactive image
ChEBI	CHEBI:79966
ChEMBL	ChEMBL121188 Y
ChemSpider	10333 Y
ECHA InfoCard	100.007.799
EC Number	208-577-2
KEGG	C15474 Y
MeSH	D014334
PubChem CID	10789
UNII	7L6DL16P1T Y
CompTox Dashboard (EPA)	DTXSID8049416
InChI InChI=1S/C7H6O2/c8-6-4-2-1-3-5-7(6)9/h1-5H,(H,8,9) N Key: MDYOLVRUBBJPFM-UHFFFAOYSA-N N InChI=1/C7H6O2/c8-6-4-2-1-3-5-7(6)9/h1-5H,(H,8,9) Key: MDYOLVRUBBJPFM-UHFFFAOYAW
SMILES C1=CC=C(C(=O)C=C1)O
Properties
Chemical formula	C7H6O2
Molar mass	122.12 g/mol
Melting point	50 to 52 °C (122 to 126 °F; 323 to 325 K)
Boiling point	80 to 84 °C (176 to 183 °F; 353 to 357 K) (0.1 mmHg)
Acidity (pKa)	6.89 (and -0.5 for conjugate acid)
Magnetic susceptibility (χ)	-61·10−6 cm3/mol
Hazards
GHS labelling:[2]
Pictograms
Signal word	Danger
Hazard statements	H314, H317, H410
Precautionary statements	P260, P261, P264, P272, P273, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P333+P313, P363, P391, P405, P501
Flash point	112 °C (234 °F; 385 K)
Related compounds
Related compounds	Hinokitiol (4-isopropyl-tropolone)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). N verify (what is YN ?) Infobox references

Tropolone is an organic compound with the chemical formula C₇H₅(OH)O. It is a pale yellow solid that is soluble in organic solvents. The compound has been of interest to research chemists because of its unusual electronic structure and its role as a ligand precursor. Although not usually prepared from tropone, it can be viewed as its derivative with a hydroxyl group in the 2-position.