Natrium-3,4-dioxonaphthalin-1-sulfonat
Sodium beta-naphthoquinone-4-sulfonate
Grundinformationen
- CAS
521-24-4- Standard-SMILES
O=C1C=C(S(=O)(=O)[O-])c2ccccc2C1=O.[Na+]- InChIKey
UBLXEEBHYISRFM-UHFFFAOYSA-M- Summenformel
- C10H5NaO5S
- Durchschnittliche Molmasse
- 260,2 g/mol
- Monoisotopische Masse
- 259,97553854
Namen und Bezeichner
- Bevorzugter Name
- Sodium beta-naphthoquinone-4-sulfonate
- IUPAC
- sodium 3,4-dioxonaphthalene-1-sulfonate
- Lokaler Name
- Natrium-3,4-dioxonaphthalin-1-sulfonat
- Englischer Name
- 1,2-Naphthoquinone-4-sulfonic acid sodium salt
- Summenformel
- C10H6O5S.Na
- Molmasse
- 261.21
Namen und Synonyme
521-24-41,2-Naphthoquinone-4-sulfonic acid sodium saltSodium beta-naphthoquinone-4-sulfonatebeta-Naphthoquinone-4-sulfonate sodium saltEINECS 208-308-9UNII-T7185HP5SHT7185HP5SHAI3-50008Sodium 3,4-dihydro-3,4-dioxo-1-naphthalenesulfonateDTXSID80601671-Naphthalenesulfonic acid, 3,4-dihydro-3,4-dioxo-, sodium salt (1:1)SODIUM .BETA.-NAPHTHOQUINONE-4-SULFONATE
Weitere Namen anzeigen
Folin's reagentFolin's reagentMANCHESTER BLUE2,3-Pentanedione97%1,2-Naphthoquinone-4LABOTEST-BB LT002331831,2-Naphthoquinone-4-sulfonic1,2-NAPHTHOQUINONE-4-SULFONIC ACID1,2-Naphthoquinone-4-SulphonicAcidSODIUM B-NAPHTHOQUINONE-4-SULFONATE
SODIUM .BETA.-NAPHTHOQUINONE-4-SULFONATE [MI].BETA.-NAPHTHOQUINONE-4-SULFONIC ACID SODIUM SALT3,4-DIHYDRO-3,4-DIOXO-1-NAPHTHALENESULFONIC ACID SODIUM SALT (1:1)RefChem:183797DTXCID6041133Sodium 1,2naphthoquinone4sulfonateSodium 3,4dioxonaphthalene1sulphonatebetaNaphthoquinone4sulfonate sodium salt
Datenbank-Bezeichner
- CAS
521-24-4- PubChem CID
- 516996
- DTXSID
DTXSID8060167- ChEMBL
CHEMBL61245- UNII
- T7185HP5SH
- EC Number
- 208-308-9
- Nikkaji
- J6.612E
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 99,7 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 17
- Formalladung
- 0
- Komplexität
- 473
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Naphthalenes
Physical DescriptionYellow solid; [Merck Index] Orange to dark orange powder; [Alfa Aesar MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 289 °C · 289 °C (dec.)(lit.)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- 2 O: · H2O: 50 mg/mL, clear
- Aggregatzustand
- solid
- Farbe
- dark orange
- Geruch (Odor)
- Odorless
- Wasserlöslichkeit
- Soluble in water and acetone. Slightly soluble in alcohol and ethanol. Insoluble in chloroform.
- Merck
- 14 · 14,8646
- BRN
- 4169788 · 4169788
- Stabilität
- Stable. Incompatible with strong oxidizing agents.
- InChI
- InChI=1S/C10H6O5S.Na/c11-8-5-9(16(13,14)15)6-3-1-2-4-7(6)10(8)12;/h1-5H,(H,13,14,15);/q;+1/p-1
- InChIKey
- UBLXEEBHYISRFM-UHFFFAOYSA-M
- SMILES
- C1(=CC(C(=O)C2C=CC=CC1=2)=O)S([O-])(=O)=O.[Na+]
- CAS Datenbank
- 521 · 521-24-4(CAS DataBase Reference)
- EPA chemische Informationen
- 1 · 1,2-Naphthoquinone-4-sulfonic acid sodium salt (521-24-4)
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
H315 (97.8%): 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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: 1-Naphthalenesulfonic acid, 3,4-dihydro-3,4-dioxo-, sodium salt
1-Naphthalenesulfonic acid, 3,4-dihydro-3,4-dioxo-, sodium salt: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryCauses changes in kidney weight in 6-day intermittent oral studies of rats; [RTECS] A skin and strong eye irritant; [Alfa Aesar MSDS] See 1,2-Naphthoquinone and 1,4-Naphthoquinone.
Hazard Classes and CategoriesSkin Irrit. 2 (97.8%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29147000
- RTECS-Nr.
- QK1490000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Verwendung und Herstellung
UsesUsed for the colorimetric determination of amino acids and amines; [Merck Index]
General Manufacturing Information1-Naphthalenesulfonic acid, 3,4-dihydro-3,4-dioxo-, sodium salt (1:1): ACTIVE
Anwendungen
Verwenden1,2-Naphthoquinone-4-sulfonic acid sodium salt is used in the characterization of phanerochaete chrysosporium. Used in the synthesis of carbohydrate based napthoquinones as anticancer agents.
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