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Sigma-Aldrich

2,5-Dihydroxy-1,4-benzoquinone

98%

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Synonym(s):
2,5-Dihydroxy-2,5-cyclohexadiene-1,4-dione, 2,5-Dihydroxy-p -benzoquinone, 2,5-Dihydroxycyclohexa-2,5-diene-1,4-dione, Anilic acid
Linear Formula:
(HO)2C6H2(=O)2
CAS Number:
615-94-1
Molecular Weight:
140.09
EC Number:
210-454-3
MDL number:
MFCD00001598
PubChem Substance ID:
24851694
NACRES:
NA.23

Quality Level

100

Assay

98%

mp

235 °C (dec.) (lit.)

SMILES string

OC1=CC(=O)C(O)=CC1=O

InChI

1S/C6H4O4/c7-3-1-4(8)6(10)2-5(3)9/h1-2,7,10H

InChI key

QFSYADJLNBHAKO-UHFFFAOYSA-N

Related Categories

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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P G Jene et al.
Acta crystallographica. Section C, Crystal structure communications, 57(Pt 6), 730-734 (2001-06-16)
The X-ray structure of 1,2,4,5-tetrahydroxybenzene (benzene-1,2,4,5-tetrol) monohydrate, C6H6O4*H2O, (I), reveals columns of 1,2,4,5-tetrahydroxybenzene parallel to the b axis that are separated by 3.364 (12) and 3.453 (11) A. Molecules in adjacent columns are tilted relative to each other by 27.78
Jan Bohuslavek et al.
Biodegradation, 16(4), 353-362 (2005-05-04)
Hydroxyquinol, a common metabolite of aromatic compounds, is readily auto-oxidized to hydroxyquinone. Enzymatic activities that metabolized hydroxyquinone were observed from the cell extracts of Sphingobium chlorophenolicum ATCC 39723. An enzyme capable of transforming hydroxyquinone was partially purified, and its activities
M Ahmed et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 56(5), 965-981 (2000-05-16)
The electronic absorption spectra of 1,4-benzoquinone (BQ) and its 2,5-dihydroxy and tetrahydroxy derivatives have been studied in detail. The interpretation of the electronic bands is made on the basis of PPP and CNDO calculations. It is found that the pi
Y Sun et al.
Guang pu xue yu guang pu fen xi = Guang pu, 20(6), 790-792 (2003-08-27)
In this paper, we report the Ab initio calculation and experimental investigation of the vibrational frequencies of 4,5-dihydroxy-1,2-benzoquinone and 2,5-dihydroxy-1,4-benzoquinone. The main IR and Raman absorption bands of them have been assigned, learned from other strong points to offset one
A Pawlukojć et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 59(3), 537-542 (2003-01-14)
Inelastic neutron scattering (INS) spectra of solid 2,5-dihydroxy-1,4-benzoquinone were measured and compared with IR and Raman data. The INS spectrum is very well reproduced in the region below 1000 cm(-1) by DFT calculations on the B3LYP/6-311++G** level using Gaussian and
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