Grundinformationen
- Standard-SMILES
O=c1ccc2nc3ccc(O)cc3oc-2c1- InChIKey
HSSLDCABUXLXKM-UHFFFAOYSA-N- Summenformel
- C12H7NO3
- Durchschnittliche Molmasse
- 213,19 g/mol
- Monoisotopische Masse
- 213,04259308
Überblick
Resorufin is a phenoxazine.
Namen und Bezeichner
- Bevorzugter Name
- Resorufin
- IUPAC
- 7-hydroxyphenoxazin-3-one
- Lokaler Name
- 7-Hydroxy-3H-phenoxazin-3-on
- Englischer Name
- RESORUFIN
- Summenformel
- C12H7NO3
- Molmasse
- 213.19
Namen und Synonyme
Resorufin635-78-97-Hydroxy-3H-phenoxazin-3-one7-Hydroxyphenoxazin-3-oneResorufine3H-Phenoxazin-3-one, 7-hydroxy-A3NUS7K96SNSC-12097DTXSID3060906CHEBI:51602RefChem:178949DTXCID8043943
Weitere Namen anzeigen
Resoruc NResoruc NeResorufin-d6Resorufin.NaResorufin >Resorufin-[2H6]
211-241-8MFCD00128991NSC 12097EINECS 211-241-8BRN 0174850Resorufin, High purity standardNSC120977-Hydroxy-3H-phenoxazine-3-one
Datenbank-Bezeichner
- CAS
635-78-9- PubChem CID
- 69462
- DTXSID
DTXSID3060906- ChEMBL
CHEMBL1185321- ChEBI
CHEBI:51602- UNII
- A3NUS7K96S
- EC Number
- 211-241-8
- Nikkaji
- J12.479F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,1
- Polarare Oberfläche (TPSA)
- 58,9 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 16
- Formalladung
- 0
- Komplexität
- 422
Experimentelle und physikochemische Eigenschaften
Chemical ClassesDyes -> Azine Dyes
Physical DescriptionSolid; [Sigma-Aldrich MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 300 °C · >300 °C(lit.)
- Siedepunkt
- 413 · 413.0±45.0 °C(Predicted)
- Dichte
- 1.46 · 1.46±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- Solubility Sparingly soluble in water; soluble in ethanol, N,N-dimethylformamide
- Aggregatzustand
- powder
- pka
- 6.6 · 6.6(at 25℃)
- Farbe
- Purple
- BRN
- 174850 · 174850
- Major Application
- 450 assay, · Photoelectrochemical cells, electrochromic devices, display device, inks, indicator, oil product detection, dye laser, chemiluminescence detection, cosmetics, fuel cells, cytochrome P 450 assay, multiplex assays, analyzing cells, semen quality, testing prenatal abnormalities, detecting nucleic acids, antitumor agent
- InChI
- 1S/C12H7NO3/c14-7-1-3-9-11(5-7)16-12-6-8(15)2-4-10(12)13-9/h1-6,14H
- InChIKey
- HSSLDCABUXLXKM-UHFFFAOYSA-N
- SMILES
- O=C(C=C1)C=C2C1=NC3=CC=C(O)C=C3O2
- CAS Datenbank
- 635 · 635-78-9(CAS DataBase Reference)
- EPA chemische Informationen
- 3 H-Phenoxazin-3-one, · 3H-Phenoxazin-3-one, 7-hydroxy- (635-78-9)
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 156 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazards SummaryOral lethal-dose (rat) > 500 mg/kg; [RTECS] A skin and strong eye irritant; [Sigma-Aldrich MSDS] See Resorcin blue.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2934999090
- RTECS-Nr.
- SP7698000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Pharmakologische Informationen
Metabolism/MetabolitesResorufin is a known human metabolite of 7-ethoxyresorufin, 7-Methoxyresorufin, pentoxyresorufin, and 7-Benzyloxyresorufin.
Verwendung und Herstellung
General Manufacturing Information3H-Phenoxazin-3-one, 7-hydroxy-: ACTIVE
Anwendungen
VerwendenResorufin is a pink fluorescent dye which has been used as a marker for microfilaments in the leading lamella of moving cells.
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