Basic information
- CAS
117-14-6- Standard SMILES
O=C1c2cccc(S(=O)(=O)O)c2C(=O)c2cccc(S(=O)(=O)O)c21- InChIKey
OZTBHAGJSKTDGM-UHFFFAOYSA-N- Molecular formula
- C14H8O8S2
- Average molar mass
- 368.3 g/mol
- Monoisotopic mass
- 367.96605956
Names & identifiers
- Preferred name
- 9,10-Anthraquinone-1,5-disulfonic acid
- IUPAC
- 9,10-dioxoanthracene-1,5-disulfonic acid
- English name
- 1 5-ANTHRAQUINONEDISULFONIC ACID
- Molecular formula
- C14H8O8S2
- Molecular weight
- 368.34
Names & synonyms
117-14-61,5-Disulfoanthraquinone1,5-ANTHRAQUINONEDISULFONIC ACID1,5-Anthracenedisulfonic acid, 9,10-dihydro-9,10-dioxo-9,10-anthraquinone-1,5-disulfonic acidNSC 2019,10-Dioxoanthracene-1,5-disulphonic acidEINECS 204-177-7BRN 2180499NSC-2019,10-DIHYDRO-9,10-DIOXO-1,5-ANTHRACENEDISULFONIC ACID5461Q8F687
Show more names
1,5-DISULPHOANTHAQUINONEANTHRAQUINONE DISULFONIC ACID1 5-ANTHRAQUINONEDISULFONIC ACIDANTHRAQUINONE-1,5-DISULFONC ACIDAnthraquinone-1,5-disulfonicacidanthraquinone-1,5-disulphonic acid9,10-Dioxo-1,5-anthracenedisulfonic acid
DTXSID10594484-11-00-00673 (Beilstein Handbook Reference)9,10-ANTHRAQUINONE-1,5-DISULFONATERefChem:548747DTXCID4033394204-177-7Anthraquinone-1,5-disulfonic acid9,10-dioxoanthracene-1,5-disulfonic acid
Database identifiers
- CAS
117-14-6
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 160 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 692
Physicochemical properties
- Melting point
- 310 · 310~311℃
- Boiling point
- 468.69 °C · 468.69°C (rough estimate)
- Density
- 1.6673 · 1.6673 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- pka
- -1.85 · -1.85±0.20(Predicted)
- color
- Yellowish needles
- FDA UNII
- 5461 Q8F687 · 5461Q8F687
- EPA Substance Registry System
- 1 · 1,5-Anthracenedisulfonic acid, 9,10-dihydro-9,10-dioxo- (117-14-6)
- TSCA
- TSCA listed
- Toxicity
- 50 orl-rat: · LD50 orl-rat: 2357 mg/kg GISAAA 45(3),73,80
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS ClassificationNot Classified
Hazard information
Regulatory InformationChemical: 1,5-Anthracenedisulfonic acid, 9,10-dihydro-9,10-dioxo-
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- Toxicity
- LD50 orl-rat: 2357 mg/kg GISAAA 45(3),73,80
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,5-Anthracenedisulfonic acid, 9,10-dihydro-9,10-dioxo-: ACTIVE
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers8 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
常州非凡医药科技有限公司0519-82111935 15195055733 · [email protected]
湖北楚盛威化工有限公司027-87891008 18971624303 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…