Basic information
- CAS
84-48-0- Standard SMILES
O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)O)ccc21- InChIKey
MMNWSHJJPDXKCH-UHFFFAOYSA-N- Molecular formula
- C14H8O5S
- Average molar mass
- 288.28 g/mol
- Monoisotopic mass
- 288.00924453
Names & identifiers
- Preferred name
- 2-Anthraquinonesulfonic acid
- IUPAC
- 9,10-dioxoanthracene-2-sulfonic acid
- English name
- 2-Anthraquinonesulfonic acid
- Molecular formula
- C14H8O5S
- Molecular weight
- 288.28
Names & synonyms
2-Anthraquinonesulfonic acid84-48-0C0S001C4YJ2-Anthracenesulfonic acid, 9,10-dihydro-9,10-dioxo-NSC-229389RefChem:465376Anthraquinone-2-sulfonic acid9,10-dioxoanthracene-2-sulfonic acid2-Sulfoanthraquinone9,10-Anthraquinone-2-sulfonic acidAnthraquinone-2-sulfonate9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid
Show more names
-SulfoanthraquinoneANTHRAQUINONE-2-SULPHONATEAnthraquinonyl-2-sulfoacidAnthraquinon-2-sulfonic acidanthraquinonyl-2-sulfonicacid9,10-ANTHRAQUINONE-2-SULPHONICACID
9,10-Anthraquinone-2-sulfonicacidAnthraquinone 2-sulfonate9,10-Dihydro-9,10-dioxo-2-anthracenesulfonic acid9,10-Anthraquinone-2-sulfonatebeta-Sulfoanthraquinone9,10-dioxo-2-anthracenesulfonic acidUNII-C0S001C4YJAQN
Database identifiers
- CAS
84-48-0- PubChem CID
- 8552
- DTXSID
DTXSID6045030
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 96.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 532
Experimental & physicochemical properties
Ionization Efficiency
Negative
2.1
10.5
Agilent XCT
Electrospray ionization
ammonia (10nM)
Collision Cross Section162.0 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID4044535]
Physicochemical properties
- Melting point
- 246 °C · 246 °C
- Density
- 1.585 · 1.585±0.06 g/cm3(Predicted)
- pka
- 1 · pK1: 0.38 (25°C)
- FDA UNII
- 0 S001C4YJ · C0S001C4YJ
- EPA Substance Registry System
- 2 · 2-Anthracenesulfonic acid, 9,10-dihydro-9,10-dioxo- (84-48-0)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: 2-Anthracenesulfonic acid, 9,10-dihydro-9,10-dioxo-
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Anthracenesulfonic acid, 9,10-dihydro-9,10-dioxo-: ACTIVE
Applications
UsesUsed as dye intermediate for the synthesis of 2-aminoanthraquinone.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers11 total
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
Related reactions
3 records
Compound notes
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