Phloroglucinol

Phloroglucinol
Names
Preferred IUPAC name
Benzene-1,3,5-triol
Other names
phloroglucine, 1,3,5-benzenetriol , 1,3,5-trihydroxybenzene or cyclohexane-1,3,5-trione
Identifiers
CAS Number
3D model (JSmol)
ChEBI
ChEMBL
ChemSpider
ECHA InfoCard 100.003.284
EC Number
  • 203-611-2
KEGG
PubChem CID
RTECS number
  • UX1050000
UNII
InChI
  • InChI=1S/C6H6O3/c7-4-1-5(8)3-6(9)2-4/h1-3,7-9H Y
    Key: QCDYQQDYXPDABM-UHFFFAOYSA-N Y
  • InChI=1/C6H6O3/c7-4-1-5(8)3-6(9)2-4/h1-3,7-9H
    Key: QCDYQQDYXPDABM-UHFFFAOYAF
SMILES
  • c1c(cc(cc1O)O)O
Properties
Chemical formula
C6H6O3
Molar mass 126.11 g/mol
Appearance colorless to beige solid
Melting point 219 °C (426 °F; 492 K)
Solubility in water
1 g/100 mL
Solubility soluble in diethyl ether, ethanol, pyridine
Acidity (pKa) 8.45
Magnetic susceptibility (χ)
−73.4·10−6 cm3/mol
Pharmacology
A03AX12 (WHO)
Hazards
GHS labelling:
Pictograms
Signal word
Warning
Hazard statements
H315, H317, H319, H335, H341, H361
Precautionary statements
P201, P202, P261, P264, P271, P272, P280, P281, P302+P352, P304+P340, P305+P351+P338, P308+P313, P312, P321, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, P501
Lethal dose or concentration (LD, LC):
5 g/kg (rat, oral)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
Y verify (what is YN ?)
Infobox references

Phloroglucinol is an organic compound with the formula C6H3(OH)3. It is a colorless solid. It is used in the synthesis of pharmaceuticals and explosives. Phloroglucinol is one of three isomeric benzenetriols. The other two isomers are hydroxyquinol (1,2,4-benzenetriol) and pyrogallol (1,2,3-benzenetriol). Phloroglucinol, and its benzenetriol isomers, are still defined as "phenols" according to the IUPAC official nomenclature rules of chemical compounds. Many such monophenolics are often termed polyphenols. The enzyme is biosynthesized by phloroglucinol synthase.