Grundinformationen
- Standard-SMILES
O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)[O-])ccc21.[Na+]- InChIKey
GGCZERPQGJTIQP-UHFFFAOYSA-M- Summenformel
- C14H7NaO5S
- Durchschnittliche Molmasse
- 310,26 g/mol
- Monoisotopische Masse
- 309,99118878
Namen und Bezeichner
- Bevorzugter Name
- Sodium 2-anthraquinonesulfonate
- IUPAC
- sodium 9,10-dioxoanthracene-2-sulfonate
- Lokaler Name
- Natrium-9,10-dihydro-9,10-dioxoanthracen-2-sulfonat
- Englischer Name
- Sodium anthraquinone-2-sulfonate
- Summenformel
- C14H9NaO5S
- Molmasse
- 311.27
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
131-08-8- PubChem CID
- 23661981
- DTXSID
DTXSID4044535- ChEMBL
CHEMBL3184279- UNII
- 511H72SDVX
- EC Number
- 205-009-5
- Nikkaji
- J79.454F
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 99,7 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 21
- Formalladung
- 0
- Komplexität
- 538
Experimentelle und physikochemische Eigenschaften
Physical Description
CBI
Beige powder; [Sigma-Aldrich MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 300 °C · >300 °C(lit.)
- Dichte
- 1.66 · 1.66[at 20℃]
- Dampfdruck
- 0 Pa · 0Pa at 25℃
- storage temp.
- 30 °C · Store below +30°C.
- Aggregatzustand
- powder
- pka
- -1.8 · -1.8 (approx)
- Wasserlöslichkeit
- Soluble in hot water, cold water and insoluble in alcohol or ether.
- BRN
- 3580452 · 3580452
- Stabilität
- Stable. Incompatible with strong oxidizing agents.
- InChI
- InChI=1S/C14H8O5S.Na.H/c15-13-9-3-1-2-4-10(9)14(16)12-7-8(20(17,18)19)5-6-11(12)13;;/h1-7H,(H,17,18,19);;
- InChIKey
- OOYZSHREGVYLQK-UHFFFAOYSA-N
- SMILES
- O=C1C2=CC=CC=C2C(=O)C2C=CC(S(O)(=O)=O)=CC1=2.[NaH]
- LogP
- -1.6 at · -1.6 at 25℃
- CAS Datenbank
- 131 · 131-08-8(CAS DataBase Reference)
- EPA chemische Informationen
- 2 · 2-Anthracenesulfonic acid, 9,10-dihydro-9,10-dioxo-, sodium salt (131-08-8)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 57.6% (110 of 191) of all reports.
Warning
H315 (42.4%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (42.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (41.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 191 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 110 of 191 reports by companies.;There are 5 notifications provided by 81 of 191 reports by companies with hazard statement code(s).;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 Information
Chemical: 2-Anthracenesulfonic acid, 9,10-dihydro-9,10-dioxo-, sodium salt
2-Anthracenesulfonic acid, 9,10-dihydro-9,10-dioxo-, sodium salt (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Anthracenesulfonic acid, 9,10-dihydro-9,10-dioxo-, sodium salt (1:1) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 13-11-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/25785
2-Anthracenesulfonic acid, 9,10-dihydro-9,10-dioxo-, sodium salt: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Causes abnormal liver and kidney function tests in oral lethal-dose studies of guinea pigs; Causes changes in spleen weight, blood cell counts, and nucleated red blood cells in 30-day oral studies of rats; [RTECS] A skin and strong eye irritant; [Sigma-Aldrich MSDS] See Sodium anthraquinone-1-sulfonate.
Toxikologische Informationen
Regulatorische Informationen
Regulatory Information
Chemical: 2-Anthracenesulfonic acid, 9,10-dihydro-9,10-dioxo-, sodium salt
2-Anthracenesulfonic acid, 9,10-dihydro-9,10-dioxo-, sodium salt (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Anthracenesulfonic acid, 9,10-dihydro-9,10-dioxo-, sodium salt (1:1) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 13-11-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/25785
2-Anthracenesulfonic acid, 9,10-dihydro-9,10-dioxo-, sodium salt: Does not have an individual approval but may be used under an appropriate group standard
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29147090
- RTECS-Nr.
- CB1095550
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information
Synthetic Dye and Pigment Manufacturing
2-Anthracenesulfonic acid, 9,10-dihydro-9,10-dioxo-, sodium salt (1:1): ACTIVE
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