Pyrogallol

Pyrogallol
Names
	Preferred IUPAC name Benzene-1,2,3-triol
	Other names 1,2,3-Trihydroxybenzene; Pyrogallic acid; 1,2,3-Benzenetriol
Identifiers
CAS Number	87-66-1 ;
3D model (JSmol)	Interactive image;
ChEBI	CHEBI:16164 ;
ChEMBL	ChEMBL307145 ;
ChemSpider	13835557 ;
ECHA InfoCard	100.001.603
EC Number	201-762-9;
KEGG	C01108;
PubChem CID	1057;
RTECS number	UX2800000;
UNII	01Y4A2QXY0 ;
UN number	2811
CompTox Dashboard (EPA)	DTXSID6025983 ;
	InChI InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H Key: WQGWDDDVZFFDIG-UHFFFAOYSA-N ; InChI=1/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H Key: WQGWDDDVZFFDIG-UHFFFAOYAT;
	SMILES Oc1cccc(O)c1O;
Properties
Chemical formula	C6H6O3
Molar mass	126.11 g/mol
Density	1.453 g/cm3 (4 °C)
Melting point	125.5 °C (257.9 °F; 398.6 K)
Boiling point	307 °C (585 °F; 580 K)
Refractive index (nD)	1.561 (134 °C)
Structure
Crystal structure	Monoclinic
Space group	P21/n
Lattice constant	a = 12.1144(11) Å, b = 3.7765(3) Å, c = 13.1365(12) Å α = 90°, β = 115.484(1)°, γ = 90°
Formula units (Z)	4
Hazards
	GHS labelling:
Pictograms
Signal word	Warning
Hazard statements	H302, H312, H332, H341, H412
Precautionary statements	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). verify (what is ?) Infobox references

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.

^ ^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.
^ 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.
^ 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.

[crc-1] 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.

[Ullmann-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.

[1]

[2]

[3]

Names



Preferred IUPAC name Benzene-1,2,3-triol
Other names 1,2,3-Trihydroxybenzene Pyrogallic acid 1,2,3-Benzenetriol^[1]
Identifiers
CAS Number	87-66-1^Y
3D model (JSmol)	Interactive image
ChEBI	CHEBI:16164^Y
ChEMBL	ChEMBL307145^Y
ChemSpider	13835557^Y
ECHA InfoCard	100.001.603
EC Number	201-762-9
KEGG	C01108
PubChem CID	1057
RTECS number	UX2800000
UNII	01Y4A2QXY0^Y
UN number	2811
CompTox Dashboard (EPA)	DTXSID6025983
InChI InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H^Y Key: WQGWDDDVZFFDIG-UHFFFAOYSA-N^Y InChI=1/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H Key: WQGWDDDVZFFDIG-UHFFFAOYAT
SMILES Oc1cccc(O)c1O
Properties
Chemical formula	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]
Refractive index (n_D)	1.561 (134 °C)^[1]
Structure^[2]
Crystal structure	Monoclinic
Space group	P2₁/n
Lattice constant	a = 12.1144(11) Å, b = 3.7765(3) Å, c = 13.1365(12) Å α = 90°, β = 115.484(1)°, γ = 90°
Formula units (Z)	4
Hazards
GHS labelling:
Pictograms
Signal word	Warning
Hazard statements	H302, H312, H332, H341, H412
Precautionary statements	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). Y verify (what is ^YN ?) Infobox references

Pyrogallol

From Wikipedia, the free encyclopedia · View on Wikipedia