Basic information
- CAS
131-08-8- Standard SMILES
O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)[O-])ccc21.[Na+]- InChIKey
GGCZERPQGJTIQP-UHFFFAOYSA-M- Molecular formula
- C14H7NaO5S
- Average molar mass
- 310.26 g/mol
- Monoisotopic mass
- 309.99118878
Names & identifiers
- Preferred name
- Sodium 2-anthraquinonesulfonate
- IUPAC
- sodium 9,10-dioxoanthracene-2-sulfonate
- English name
- Sodium anthraquinone-2-sulfonate
- Molecular formula
- C14H9NaO5S
- Molecular weight
- 311.27
Names & synonyms
Show more names
Database identifiers
- CAS
131-08-8- PubChem CID
- 23661981
- DTXSID
DTXSID4044535- ChEMBL
CHEMBL3184279- UNII
- 511H72SDVX
- EC Number
- 205-009-5
- Nikkaji
- J79.454F
Properties
Computed structural properties
- Topological polar surface area
- 99.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 538
Experimental & physicochemical properties
Physical Description
CBI
Beige powder; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 300 °C · >300 °C(lit.)
- Density
- 1.66 · 1.66[at 20℃]
- vapor pressure
- 0 Pa · 0Pa at 25℃
- storage temp.
- 30 °C · Store below +30°C.
- pka
- -1.8 · -1.8 (approx)
- form
- powder
- Appearance
- Off-white to light yellow Solid
- Water Solubility
- Soluble in hot water, cold water and insoluble in alcohol or ether.
- BRN
- 3580452 · 3580452
- Stability
- 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 DataBase Reference
- 131 · 131-08-8(CAS DataBase Reference)
- Indirect Additives used in Food Contact Substances
- 2 · SODIUM 2-ANTHRAQUINONESULFONATE
- FDA 21 CFR
- 175.105 · 175.105; 177.2600
- FDA UNII
- 511 H72SDVX · 511H72SDVX
- EPA Substance Registry System
- 2 · 2-Anthracenesulfonic acid, 9,10-dihydro-9,10-dioxo-, sodium salt (131-08-8)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- RTECS
- 1095550 · CB1095550
- TSCA
- TSCA listed
- HS Code
- 29147090 · 29147090
- REACH Registrations
- Active
Safety & regulation
GHS classification
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.
Hazard information
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.
Toxicology
Regulatory information
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
Safety data
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- CB1095550
- hs_code
- 29147090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335
- REACH Registrations
- Active
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Uses & manufacturing
General Manufacturing Information
Synthetic Dye and Pigment Manufacturing
2-Anthracenesulfonic acid, 9,10-dihydro-9,10-dioxo-, sodium salt (1:1): ACTIVE
Applications
UsesSodium anthraquinone-2-sulfonate is used as an analytical reagent for alkaloids, an important intermediate for anthraquinone dyes, and a major raw material for the synthesis of anthraquinone acid dyes. It can be used to synthesize reactive, vat, and disperse dyes, and is also used in dye synthesis, organic synthesis, and other industries.
Upstream & downstream products
Downstream products
Suppliers100 total
Related reactions
Compound notes
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