Basic information
- CAS
84-50-4- Standard SMILES
O=C1c2ccc(S(=O)(=O)O)cc2C(=O)c2ccc(S(=O)(=O)O)cc21- InChIKey
MSSUFHMGCXOVBZ-UHFFFAOYSA-N- Molecular formula
- C14H8O8S2
- Average molar mass
- 368.3 g/mol
- Monoisotopic mass
- 367.96605956
Overview
Anthraquinone-2,6-disulfonic acid is a member of the class of anthraquinones that is 9,10-anthraquinone substituted at positions 2 and 6 by sulfo groups. It is an anthraquinone and an arenesulfonic acid. It is functionally related to a 9,10-anthraquinone. It is a conjugate acid of an anthraquinone-2,6-disulfonate.
Names & identifiers
- Preferred name
- Anthraquinone-2,6-disulfonate
- IUPAC
- 9,10-dioxoanthracene-2,6-disulfonic acid
- English name
- Anthraquinone-2,6-disulfonic acid, disodium salt, mixture of isomers, tech., 90
- Molecular formula
- C14H8O8S2
- Molecular weight
- 368.34
Names & synonyms
anthraquinone-2,6-disulfonate9,10-Anthraquinone-2,6-disulfonateAQDS cpdRefChem:445796anthraquinone-2,6-disulphonate84-50-42,6-Anthracenedisulfonic acid, 9,10-dihydro-9,10-dioxo-ANTHRAQUINONE-2,6-DISULFONIC ACID2,6-Disulfoanthraquinone9,10-dioxoanthracene-2,6-disulfonic acid9,10-Dioxoanthracene-2,6-disulphonic acid9,10-Dioxo-9,10-Dihydroanthracene-2,6-Disulfonic Acid
Show more names
9,10-DioMSSUFHMGCXOVBZ-UHFFFAOYSA-Nanthraquinone-2,6-disulfonicaciANTHRAQUINONE-2,6-DISULPHONICACIDAnthraquinone2,6DiSulfonicacid60%9,10-Dioxo-2,6-anthracenedisulfonic acid9,10-Dioxy-2,6-anthracenedisulfonic acid
WN018KNQ7WAI3-163032,6-Anthracenedisulfonicacid, 9,10-dihydro-9,10-dioxo-9,10-anthraquinone-2,6-disulfonic acidAQDSUNII-WN018KNQ7WEINECS 201-534-9SCHEMBL517673
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
- 325 °C · 325°C
- Density
- 1.8 · 1.800±0.06 g/cm3(Predicted)
- pka
- -1.85 · -1.85±0.20(Predicted)
- form
- solid
- InChI
- InChI=1S/C14H8O8S2/c15-13-9-3-1-7(23(17,18)19)5-11(9)14(16)10-4-2-8(6-12(10)13)24(20,21)22/h1-6H,(H,17,18,19)(H,20,21,22)
- InChIKey
- MSSUFHMGCXOVBZ-UHFFFAOYSA-N
- SMILES
- C1=C2C(C(=O)C3=C(C2=O)C=CC(S(O)(=O)=O)=C3)=CC=C1S(O)(=O)=O
- FDA UNII
- 18 KNQ7W · WN018KNQ7W
- EPA Substance Registry System
- 2 · 2,6-Anthracenedisulfonic acid, 9,10-dihydro-9,10-dioxo- (84-50-4)
- Symbol(GHS)
- 7 · GHS07,GHS05,GHS09
- Signal word
- Danger
- Hazard statements
- 315 · H315-H335-H410-H318
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P273-P391-P501-P280-P305+P351+P338-P310
- 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.
GHS classification
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05,GHS09
- Hazard statements
- H315-H335-H410-H318
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P273-P391-P501-P280-P305+P351+P338-P310
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2,6-Anthracenedisulfonic acid, 9,10-dihydro-9,10-dioxo-: INACTIVE
Upstream & downstream products
Downstream products
Suppliers14 total
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]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
湖北楚盛威化工有限公司87891008 18971625309 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
北京华威锐科化工科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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