Basic information
- CAS
82-48-4- Standard SMILES
O=C1c2cccc(S(=O)(=O)O)c2C(=O)c2c1cccc2S(=O)(=O)O- InChIKey
IJNPIHLZSZCGOC-UHFFFAOYSA-N- Molecular formula
- C14H8O8S2
- Average molar mass
- 368.3 g/mol
- Monoisotopic mass
- 367.96605956
Names & identifiers
- Preferred name
- 1,8-Disulfoanthraquinone
- IUPAC
- 9,10-dioxoanthracene-1,8-disulfonic acid
- English name
- 9,10-dioxoanthracene-1,8-disulphonic acid
- Molecular formula
- C14H8O8S2
- Molecular weight
- 368.34
Names & synonyms
82-48-41,8-Disulfoanthraquinone1,8-Anthracenedisulfonic acid, 9,10-dihydro-9,10-dioxo-1,8-ANTHRAQUINONEDISULFONIC ACIDNSC 202EINECS 201-426-1BRN 2180412DTXSID30588763-11-00-00635 (Beilstein Handbook Reference)RefChem:417918DTXCID10482539,10-dioxo-9,10-dihydroanthracene-1,8-disulfonic acid
Show more names
9,10-diketoanthracene-1,8-disulfonic acid9,10-Dihydro-9,10-dioxoanthracene-1,8-disulfonic acid
9,10-Dioxoanthracene-1,8-disulphonic acid3E2P9MP8UUNSC-2029,10-Dihydro-9,10-dioxo-1,8-anthracenedisulfonic acid9,10-dioxoanthracene-1,8-disulfonic acidUNII-3E2P9MP8UU1,8-AnthrachinondisulfosaureCBDivE_016096
Database identifiers
- CAS
82-48-4- PubChem CID
- 6712
- DTXSID
DTXSID3058876- UNII
- 3E2P9MP8UU
- EC Number
- 201-426-1
- Nikkaji
- J79.427I
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
- 696
Physicochemical properties
- Melting point
- 293.5 °C · 293.5°C
- Boiling point
- 468.69 °C · 468.69°C (rough estimate)
- Density
- 1.6673 · 1.6673 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- color
- Yellow needles
- Water Solubility
- 400 g/L · 400g/L(18 ºC)
- FDA UNII
- 3 E2P9MP8UU · 3E2P9MP8UU
- EPA Substance Registry System
- 1 · 1,8-Anthracenedisulfonic acid, 9,10-dihydro-9,10-dioxo- (82-48-4)
- TSCA
- TSCA listed
- Toxicity
- 50 orl-rat: · LD50 orl-rat: 1870 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.
Safety data
- tsca
- TSCA listed
- Toxicity
- LD50 orl-rat: 1870 mg/kg GISAAA 45(3),73,80
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,8-Anthracenedisulfonic acid, 9,10-dihydro-9,10-dioxo-: INACTIVE
Upstream & downstream products
Upstream raw materials
Suppliers2 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [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
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