Grundinformationen
- CAS
1760-52-7- Standard-SMILES
O=C1C=C(O)C(=O)C=C1O- InChIKey
QFSYADJLNBHAKO-UHFFFAOYSA-N- Summenformel
- C6H4O4
- Durchschnittliche Molmasse
- 140,09 g/mol
- Monoisotopische Masse
- 140,0109586
Namen und Bezeichner
- Bevorzugter Name
- 2,5-Dihydroxy-1,4-benzoquinone
- IUPAC
- 2,5-dihydroxycyclohexa-2,5-diene-1,4-dione
- Lokaler Name
- 2,5-Dihydroxy-p-benzochinon
- Englischer Name
- 2,5-DIHYDROXY-1,4-BENZOQUINONE
- Summenformel
- C6H4O4
- Molmasse
- 140.09
Namen und Synonyme
2,5-Dihydroxy-1,4-benzoquinone615-94-12,5-dihydroxycyclohexa-2,5-diene-1,4-dione2,5-Cyclohexadiene-1,4-dione, 2,5-dihydroxy-p-Benzoquinone, 2,5-dihydroxy-ANILIC ACID0KG5HVB52ZNSC-3843DTXSID4060658RefChem:82862DTXCID9043067210-454-3
Weitere Namen anzeigen
Dihydroxy-p-qu2,5-DIHYDROXY-P-QUINONEDihydroxy-p-quinonate acid2,5-Dihyroxy-p-benzoquinone2,5-Dihydroxybenzoquinone,98%
2,5-Dihydroxy-p-benzoquinoneMFCD000015982,5-Dihydroxybenzoquinone1760-52-7DHBQ2,5-dihydroxy-[1,4]benzoquinone1,4-Benzoquinone, 2,5-dihydroxy-p-Benzoquinone, 2,5-dihydroxy
Datenbank-Bezeichner
- CAS
1760-52-7、615-94-1- PubChem CID
- 69213
- DTXSID
DTXSID4060658- UNII
- 0KG5HVB52Z
- EC Number
- 210-454-3
- Nikkaji
- J110.565E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,3
- Polarare Oberfläche (TPSA)
- 74,6 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 231
Experimentelle und physikochemische Eigenschaften
Physical DescriptionYellow or orange powder; [Alfa Aesar MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 235 °C · 235 °C (dec.)(lit.)
- Siedepunkt
- 216.56 °C · 216.56°C (rough estimate)
- Dichte
- 1.4596 · 1.4596 (rough estimate)
- Brechungsindex
- 1.58 · 1.5800 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly, Heated)
- Aggregatzustand
- Powder
- pka
- 1 · pK1:2.71;pK2:5.18 (25°C)
- Farbe
- Ochre to brown
- Wasserlöslichkeit
- Soluble in water.
- BRN
- 1939229 · 1939229
- InChI
- InChI=1S/C6H4O4/c7-3-1-4(8)6(10)2-5(3)9/h1-2,7,10H
- InChIKey
- QFSYADJLNBHAKO-UHFFFAOYSA-N
- SMILES
- C1(=O)C=C(O)C(=O)C=C1O
- CAS Datenbank
- 615 · 615-94-1(CAS DataBase Reference)
- EPA chemische Informationen
- 2 · 2,5-Cyclohexadiene-1,4-dione, 2,5-dihydroxy- (615-94-1)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H302 (89.1%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (89.1%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (97.8%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (89.1%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (95.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Regulatory InformationChemical: 2,5-Cyclohexadiene-1,4-dione, 2,5-dihydroxy-
Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See Quinone.
Hazard Classes and CategoriesAcute Tox. 4 (89.1%)；Acute Tox. 4 (89.1%)；Skin Irrit. 2 (97.8%)；Eye Irrit. 2 (97.8%)；Acute Tox. 4 (89.1%)；STOT SE 3 (95.7%)
Regulatorische Informationen
Regulatory InformationChemical: 2,5-Cyclohexadiene-1,4-dione, 2,5-dihydroxy-
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29146990
- risk_code
- 20/21/22-36/37/38
- hazard_code
- Xn
- safety_code
- 26-37/39
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Verwendung und Herstellung
UsesSynthetic Polymer MALDI Matrix Compounds
General Manufacturing Information2,5-Cyclohexadiene-1,4-dione, 2,5-dihydroxy-: ACTIVE
Anwendungen
Verwenden2,5-dihydroxy-1,4-benzoquinone dianion, and squarate as bridging ligands in the synthesis and magnetic properties of binuclear iron(III) complexes with oxalate. A Dinuclear 2,5-Dihydroxy-1,4-benzoquinone acts as a bridging ligand Ruthenium(II) Complex with the Dianion.
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