2892-51-5O=c1c(O)c(O)c1=OPWEBUXCTKOWPCW-UHFFFAOYSA-NSquaric acid is a carbon oxoacid that consists of 1,2-diketocyclobut-3-ene bearing two enolic hydroxy substituents at positions 3 and 4. It has a role as a metabolite. It is a carbon oxoacid and an alicyclic ketone. It is a conjugate acid of a hydrogensquarate.
2892-51-5、31150-56-8DTXSID9049409CHEBI:52141Squaric acid (3,4-dihydroxycyclobut-3-ene-1,2-dione), also known as quadratic acid, has the fascinating structure, and is a vinylogous carboxylic acid. The parent compound is a white,crystalline powder which melts at~300℃. It is highly acidic (pKa 1.5 for the first proton and 3.4 for the second) due to resonance stabilization of the anion and exhibits IR resonances indicative of strong hydrogen bonding [2326cm-1 (OH),1818 cm-1 (C=O), and 1639cm-1 (C=C)].The UV absorption spectrum suggests that the acid is essentially completely ionized. Squaric acid is freely soluble in water but has poor solubility in many organic solvents.Solutions give an intense purple color with iron(III) chloride, and are also known to decolorize bromine water, cerium(IV) nitrate, and permanganate solutions.As the carbonyl groups are similar to those of carboxylic acids rather than those of ketones, squaric acid does not react in the phenylhydrazine test.The squarate dianion is thought to be completely symmetrical (unlike squaric acid itself), with all C-C and C-O bond lengths being, respectively, identical, as the negative charges are equally distributed between allthe oxygen atoms.The IR spectrum of dipotassium squarate (dipotassium 3,4-dioxocy-clobut-1-ene-1,2-diolate) differs greatly from that of squaric acid, with the loss of the car-bonyl (C=O) and alkene(C=C) absorptions seen in the protonated form, and supportsthe proposed symmetrical structure.
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Warning
H315 (72.1%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 61 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Skin Irrit. 2 (72.1%)
Skin Irrit. 2 (100%)
용도Squaric acid used as intermediate for squaraine dyes and heterocycles. Squaric acid is an immunotherapy used to treat common warts. This treatment is non-toxic, and easy to use. The treatment activated your immune system to combat the warts and therefore it may cause an allergic reaction , similar to poison oak. This reaction can be managed with a topical cortisone cream. Blistering and lightening of the skin may occur, but rarely.Squaric acid derivatives – synthetic targets for ring expansion reactions
일반 설명3,4-dihydroxy-3-cyclobutene-1,2 dione, commonly known as squaric acid, is widely used in bioorganic and medicinal chemistry. It is an inhibitor of glyoxylase, semiqauric acid, pyruvate dehrogenase, and transketolase. It is used as a replacement for phosphate in a peptide-based ligand for an SH2 domain. Its derivatives are high-affinity ligands for excitatory amino acid receptors. These derivatives are also used as dyes for fluorescence detection of small biological molecules.
정의ChEBI: A carbon oxoacid that consists of 1,2-diketocyclobut-3-ene bearing two enolic hydroxy substituents at positions 3 and 4.
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