Spiro[3H-2,1-benzoxathiol-3,9'-[9H]xanthen]-3',4',5',6'-tetrol-1,1-dioxid
Spiro(3H-2,1-benzoxathiole-3,9'-(9H)xanthene)-3',4',5',6'-tetrol, 1,1-dioxide
Grundinformationen
- CAS
32638-88-3- Standard-SMILES
O=S1(=O)OC2(c3ccccc31)c1ccc(O)c(O)c1Oc1c2ccc(O)c1O- InChIKey
KUQNCHZOCSYKOR-UHFFFAOYSA-N- Summenformel
- C19H12O8S
- Durchschnittliche Molmasse
- 400,4 g/mol
- Monoisotopische Masse
- 400,02528851
Namen und Bezeichner
- Bevorzugter Name
- Spiro(3H-2,1-benzoxathiole-3,9'-(9H)xanthene)-3',4',5',6'-tetrol, 1,1-dioxide
- IUPAC
- 1,1-dioxospiro[2,1λ6-benzoxathiole-3,9'-xanthene]-3',4',5',6'-tetrol
- Lokaler Name
- Spiro[3H-2,1-benzoxathiol-3,9'-[9H]xanthen]-3',4',5',6'-tetrol-1,1-dioxid
- Englischer Name
- PYROGALLOL RED
- Summenformel
- C19H12O8S
- Molmasse
- 400.36
Namen und Synonyme
32638-88-3PyrogallolsulfonephthaleinPyrogallol sulfonphthaleinSpiro(3H-2,1-benzoxathiole-3,9'-(9H)xanthene)-3',4',5',6'-tetrol, 1,1-dioxideDTXSID6067703Spiro[3H-2,1-benzoxathiole-3,9'-[9H]xanthene]-3',4',5',6'-tetrol, 1,1-dioxideRefChem:870975DTXCID5038549251-134-33',4',5',6'-Tetrahydroxyspiro[benzo[c][1,2]oxathiole-3,9'-xanthene] 1,1-dioxidePYROGALLOLREDEINECS 251-134-3
Weitere Namen anzeigen
PYROGALLIC ACIDPYROGALLOLSULFONPHTHALEINPRPYROGALLOLUMPYROGALLOL REDPyrogallolRedGrPYROGALLOL RED ARPYROGALLIC ACID RED1,2,3-BENZENETRIOL REDPYROGALLOL RED-LACTONE
MFCD000050461,1-dioxospiro[2,1lambda6-benzoxathiole-3,9'-xanthene]-3',4',5',6'-tetrolUS8987474, PyrogallolRed1,1-dioxospiro[2,1lambda6-benzoxath3',4',5',6'-tetrahydroxyspiro[2,1-benzoxathiole-3,9'-xanthene]-1,1-dione3172-49-412,13,14,15-tetrahydroxyspiro[benzo[c]1,2-oxathiolane-3,9'-xanthene]-1,1-dione3',4',5',6'-Tetrahydroxyspiro[benzo[c][1,2]oxathiole-3,9'-xanthene]1,1-dioxide
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,1
- Polarare Oberfläche (TPSA)
- 142 Ų
- H-Brücken-Donoren
- 4
- H-Brücken-Akzeptoren
- 8
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 28
- Formalladung
- 0
- Komplexität
- 690
Physikochemische Eigenschaften
- Schmelzpunkt
- 133 · 133-134 °C(lit.)
- Siedepunkt
- 309 °C · 309 °C(lit.)
- Dichte
- 1.082 g/mL · 1.082 g/mL at 20 °C
- Dampfdichte
- 4.4 · 4.4 (vs air)
- Dampfdruck
- 10 mm · 10 mm Hg ( 167.7 °C)
- Brechungsindex
- 20 · n20/D 1.387
- storage temp.
- Inert atmosphere,Room Temperature
- Löslichkeit
- 1 M · 1 M NH4OH: 10mg/mL, clear
- Aggregatzustand
- Liquid
- pka
- 7.86 · 7.86±0.20(Predicted)
- Farbe
- Dark brown
- Wasserlöslichkeit
- Soluble in water, ammonium hydroxide (10 mg/ml), and ethanol.
- BRN
- 363738 · 363738
- InChI
- InChI=1S/C19H12O8S/c20-12-7-5-10-17(15(12)22)26-18-11(6-8-13(21)16(18)23)19(10)9-3-1-2-4-14(9)28(24,25)27-19/h1-8,20-23H
- InChIKey
- KUQNCHZOCSYKOR-UHFFFAOYSA-N
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.
Not Classified
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Spiro[3H-2,1-benzoxathiole-3,9'-[9H]xanthene]-3',4',5',6'-tetrol, 1,1-dioxide: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesNot Classified
Sicherheitsdaten
- F
- 8
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2811 6.1/PG 3
- hs_code
- 2934 99 90
- RTECS-Nr.
- UX2800000
- risk_code
- 20/21/22-52/53-68-36/37/38
- hazard_code
- Xn,Xi
- safety_code
- 36/37-61-24/25-22-36-26
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological ClassificationChemicals and substances that impart color including soluble dyes and insoluble pigments. They are used in INKS; PAINTS; and as INDICATORS AND REAGENTS.
Verwendung und Herstellung
General Manufacturing InformationSpiro[3H-2,1-benzoxathiole-3,9'-[9H]xanthene]-3',4',5',6'-tetrol, 1,1-dioxide: ACTIVE
Anwendungen
VerwendenPyrogallol Red is a complexometric indicator for the metal elements molybdenum and copper. Dyes and metabolites.
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