Basic information
- CAS
145-48-2- Standard SMILES
O=C1c2ccccc2C(=O)c2c(O)c(S(=O)(=O)O)cc(O)c21- InChIKey
CCQSBGJULPBARL-UHFFFAOYSA-N- Molecular formula
- C14H8O7S
- Average molar mass
- 320.28 g/mol
- Monoisotopic mass
- 319.99907376
Names & identifiers
- Preferred name
- Rufianic acid
- IUPAC
- 1,4-dihydroxy-9,10-dioxoanthracene-2-sulfonic acid
- English name
- 1,4-Dihydroxyanthraquinone-2-sulfonic acid
- Molecular formula
- C14H8O7S
- Molecular weight
- 320.27
Names & synonyms
145-48-21,4-Dihydroxyanthraquinone-2-sulfonic acidRufianic acidHelio Fast Rubine 4BLA2-QUINIZARINSULFONIC ACIDQuinizarinsulfonic acidMorocco Maroon X-1550Quinizarin-3-sulfonic acidQuinizarin-3-sulphonic acid2-Anthracenesulfonic acid, 9,10-dihydro-1,4-dihydroxy-9,10-dioxo-3SF26I984LC.I. 58055
Show more names
QUINIZARINSULPHONATE1,4-Dihydroxy-2-sulfoanthraquinone1,4-Dihydroxyanthraquinone-2-sulfonic aci1 ,4-dihydroxyanthraquinone-2-sulfonc acid1,4-dihydroxy-9,10-dioxoanthracene-2-sulfonic acid1,4-dihydroxy-9,10-dioxo-2-anthracenesulfonic acid
EINECS 205-654-2NSC 111951NSC-111951AI3-50015DTXSID7059729Anthracenesulfonic acid, 9,10-dihydro-1,4-dihydroxy-9,10-dioxo-RefChem:883969DTXCID6034714
Database identifiers
- CAS
145-48-2- PubChem CID
- 8960
- DTXSID
DTXSID7059729- UNII
- 3SF26I984L
- EC Number
- 205-654-2
- Nikkaji
- J193.645J
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 593
Physicochemical properties
- Density
- 1.792 · 1.792±0.06 g/cm3(Predicted)
- pka
- -1.33 · -1.33±0.20(Predicted)
- CAS DataBase Reference
- 145 · 145-48-2(CAS DataBase Reference)
- FDA UNII
- 3 SF26I984L · 3SF26I984L
- EPA Substance Registry System
- 2 · 2-Anthracenesulfonic acid, 9,10-dihydro-1,4-dihydroxy-9,10-dioxo- (145-48-2)
- TSCA
- TSCA listed
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-1,4-dihydroxy-9,10-dioxo-
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Anthracenesulfonic acid, 9,10-dihydro-1,4-dihydroxy-9,10-dioxo-: ACTIVE
Upstream & downstream products
Upstream raw materials
Suppliers11 total
常州市华阳科技有限公司+8615250961469 · [email protected]
上海丽康新材料有限公司+86-16631818819 +86-17736933208 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
海蔚化学86-21-51086038 · [email protected]
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
郑州研德生物科技有限公司13298105281 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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