Pyrogallol

Pyrogallol
Skeletal formula
Ball-and-stick model
Names
Preferred IUPAC name
Benzene-1,2,3-triol
Other names
1,2,3-Trihydroxybenzene
Pyrogallic acid
1,2,3-Benzenetriol[1]
Identifiers
3D model (JSmol)
ChEBI
ChEMBL
ChemSpider
ECHA InfoCard 100.001.603 Edit this at Wikidata
EC Number
  • 201-762-9
KEGG
RTECS number
  • UX2800000
UNII
UN number 2811
  • InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H checkY
    Key: WQGWDDDVZFFDIG-UHFFFAOYSA-N checkY
  • InChI=1/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H
    Key: WQGWDDDVZFFDIG-UHFFFAOYAT
  • Oc1cccc(O)c1O
Properties
C6H6O3
Molar mass 126.11 g/mol
Density 1.453 g/cm3 (4 °C)[1]
Melting point 125.5 °C (257.9 °F; 398.6 K)[1]
Boiling point 307 °C (585 °F; 580 K)[1]
1.561 (134 °C)[1]
Structure[2]
Monoclinic
P21/n
a = 12.1144(11) Å, b = 3.7765(3) Å, c = 13.1365(12) Å
α = 90°, β = 115.484(1)°, γ = 90°
4
Hazards
GHS labelling:
GHS07: Exclamation markGHS08: Health hazard
Warning
H302, H312, H332, H341, H412
P201, P202, P261, P264, P270, P271, P273, P280, P281, P301+P312, P302+P352, P304+P312, P304+P340, P308+P313, P312, P322, P330, P363, P405, P501
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
checkY verify (what is checkY☒N ?)

Pyrogallol is an organic compound with the formula C6H3(OH)3. It is a water-soluble, white solid although samples are typically brownish because of its sensitivity toward oxygen.[3] It is one of three isomers of benzenetriols.

  1. ^ a b c d e Haynes, William M., ed. (2016). CRC Handbook of Chemistry and Physics (97th ed.). CRC Press. p. 3.38. ISBN 9781498754293.
  2. ^ Thakuria, Ranjit; Cherukuvada, Suryanarayan; Nangia, Ashwini (2012). "Crystal Structures of Pyrogallol, Its Hydrate, and Stable Multiple Z ′ Cocrystals with N-Heterocycles Containing Metastable Conformers of Pyrogallol". Crystal Growth & Design. 12 (8): 3944–3953. doi:10.1021/cg3003367.
  3. ^ Fiege, Helmut; Heinz-Werner, Voges; Hamamoto, Toshikazu; Umemura, Sumio; Iwata, Tadao; Miki, Hisaya; Fujita, Yasuhiro; Buysch, Hans-Josef; Garbe, Dorothea; Paulus, Wilfried (2014). "Phenol Derivatives". Ullmann's Encyclopedia of Industrial Chemistry (7th ed.). Weinheim: Wiley-VCH. p. 1072. doi:10.1002/14356007.a19_313. ISBN 978-3527306732.