Grundinformationen
- Standard-SMILES
O=S1(=O)OC(c2ccc(O)c(Cl)c2)(c2ccc(O)c(Cl)c2)c2ccccc21- InChIKey
WWAABJGNHFGXSJ-UHFFFAOYSA-N- Summenformel
- C19H12Cl2O5S
- Durchschnittliche Molmasse
- 423,3 g/mol
- Monoisotopische Masse
- 421,97824984
Überblick
used in transport studies of goldfish renal tubules; structure
Namen und Bezeichner
- Bevorzugter Name
- Chlorophenol red
- IUPAC
- 2-chloro-4-[3-(3-chloro-4-hydroxyphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]phenol
- Lokaler Name
- 4,4'-(3H-2,1-Benzoxathiol-3-yliden)bis[2-chlorphenol]S,S-dioxid
- Englischer Name
- Chlorophenol Red
- Summenformel
- C19H12Cl2O5S
- Molmasse
- 423.27
Namen und Synonyme
CHLOROPHENOL RED4430-20-0Chlorphenol RedChlorphenolsulfonphthaleinDichlorophenolsulfonephthaleinPhenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2-chloro-P3S5KH33EA3',3''-DichlorophenolsulfonphthaleinNSC-7828Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis[2-chloro-, S,S-dioxideDTXSID4063450Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis(2-chloro-
Weitere Namen anzeigen
CPRNsc 7828BETZ 0416chlorphenolredChlorophenolReChlorotexReagentChlorophenolRedGrChlorophenolRed>TIMTEC-BB SBB005925
3,3-bis(3-chloro-4-hydroxyphenyl)-3H-2,1$l^(6)-benzoxathiole-1,1-dionePhenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis(2-chloro-, S,S-dioxide3,3-bis(3-chloro-4-hydroxyphenyl)-3H-2,1$l^{6}-benzoxathiole-1,1-dioneRefChem:125479DTXCID3040302224-619-2Chlorophenol red indicator3,3-Bis(3-chloro-4-hydroxyphenyl)-3H-benzo[c][1,2]oxathiole 1,1-dioxide
Datenbank-Bezeichner
- CAS
4430-20-0- PubChem CID
- 20486
- DTXSID
DTXSID4063450- UNII
- P3S5KH33EA
- EC Number
- 224-619-2
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,3
- Polarare Oberfläche (TPSA)
- 92,2 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 27
- Formalladung
- 0
- Komplexität
- 625
Experimentelle und physikochemische Eigenschaften
Chemical ClassesDyes -> Di- and Triaryl Dyes
Melting Point261 - 262 °C
Physical Description
Brown to dark reddish brown crystalline powder; [Acros Organics MSDS]
Solid
Physikochemische Eigenschaften
- Schmelzpunkt
- 261 °C · 261 °C
- Siedepunkt
- 583 · 583.0±50.0 °C(Predicted)
- Dichte
- 1.4641 · 1.4641 (estimate)
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- Solubility Sparingly soluble in water; soluble in ethanol
- pka
- 6 · 6.0(at 25℃)
- Aggregatzustand
- Liquid
- Farbe
- White to cream
- PH
- 4.8 · 4.8-6.7, yellow to violet
- Wasserlöslichkeit
- insoluble
- BRN
- 354053 · 354053
- Major Application
- Waveguide, sol-gel matrix, display device, tin electroplating process, inks, lubricants, detergents, preservation of cut flowers, cosmetics, identifying fresh and stale rice, determining acidity in wine, food storage, detecting lactic acid bacteria, enzyme assays, diagnosis of bacterial and fungal infection, oral hygiene products
- InChI
- 1S/C19H12Cl2O5S/c20-14-9-11(5-7-16(14)22)19(12-6-8-17(23)15(21)10-12)13-3-1-2-4-18(13)27(24,25)26-19/h1-10,22-23H
- InChIKey
- WWAABJGNHFGXSJ-UHFFFAOYSA-N
- SMILES
- Oc1ccc(cc1Cl)C2(OS(=O)(=O)c3ccccc23)c4ccc(O)c(Cl)c4
- CAS Datenbank
- 4430 · 4430-20-0(CAS DataBase Reference)
- EPA chemische Informationen
- 4 · Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2-chloro- (4430-20-0)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 49 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis[2-chloro-, S,S-dioxide
Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2-chloro-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryAn irritant; [Acros Organics MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29349990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37/39-36
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsMembrane
Verwendung und Herstellung
UsesUsed in transport studies of goldfish renal tubules. [ChemIDplus]
General Manufacturing InformationPhenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2-chloro-: ACTIVE
Anwendungen
VerwendenChlorophenol Red; Dyes and metabolites. Is used in detection of nicotine, cannabinoids and drugs of abuse on vaping device surfaces and vaping liquid formulations.
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