Basic information
- CAS
12222-79-6- Standard SMILES
Nc1ccc(O)c2c1C(=O)c1c(N)c(Br)cc(O)c1C2=O- InChIKey
SBSBBPZTTALABX-UHFFFAOYSA-N- Molecular formula
- C14H9BrN2O4
- Average molar mass
- 349.14 g/mol
- Monoisotopic mass
- 347.97456887
Overview
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Names & identifiers
- Preferred name
- 9,10-Anthracenedione, 1,8-diaminobromo-4,5-dihydroxy-
- IUPAC
- 1,8-diamino-2-bromo-4,5-dihydroxyanthracene-9,10-dione
- English name
- Disperse Blue 81
- Molecular formula
- C14H9BrN2O4
- Molecular weight
- 349.14
Names & synonyms
1,8-Diaminobromo-4,5-dihydroxyanthraquinone27733-08-09,10-Anthracenedione, 1,8-diaminobromo-4,5-dihydroxy-RefChem:1074808DTXSID701069682248-624-4602-264-89,10-Anthracenedione, 1,8-diamino-2-bromo-4,5-dihydroxy-dianix blue gr-e12222-79-665235-63-41,8-diamino-2-bromo-4,5-dihydroxyanthracene-9,10-dione
Show more names
Samaron Blue RLPalanil Blue RTSumikaron Blue E-GRLC.I.Disperse Blue 81Disperse blue 81 (C.I. 63603)C.I.Disperse Blue 81:C.I.63603Disperse Blue 81 ISO 9001：2015 REACH
Disperse Blue 81Modr Ostacetova LG [Czech]Modr Ostacetova LGBRN 2167958EINECS 265-650-12-Bromo-1,8-diamino-4,5-dihydroxyanthraquinoneC.I. Disperse Blue 811,8-Diamino-2-bromo-4,5-dihydroxyanthraquinone
Database identifiers
- CAS
12222-79-6、27733-08-0、65235-63-4、68134-65-6
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 474
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
This chemical does not meet GHS hazard criteria for 100% (9 of 9) of all reports.
Not Classified
Aggregated GHS information provided per 9 reports by companies from 1 notifications to the ECHA C&L Inventory.
This chemical does not meet GHS hazard criteria for 100% (5 of 5) of all reports.
Not Classified
Aggregated GHS information provided per 5 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 9,10-Anthracenedione, 1,8-diaminobromo-4,5-dihydroxy-
Chemical: 9,10-Anthracenedione, 1,8-diamino-2-bromo-4,5-dihydroxy-
Chemical: 9,10-Anthracenedione, 1,5(or 1,8)-diamino-2-bromo-4,8(or 4,5)-dihydroxy-
9,10-Anthracenedione, 1,8-diaminobromo-4,5-dihydroxy: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
1,8-diaminobromo-4,5-dihydroxyanthraquinone: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
9,10-Anthracenedione, 1,5(or 1,8)-diamino-2-bromo-4,8(or 4,5)-dihydroxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and Categories
Not Classified
Not Classified
Chemistry & industry
Uses & manufacturing
General Manufacturing Information
9,10-Anthracenedione, 1,8-diamino-2-bromo-4,5-dihydroxy-: ACTIVE
9,10-Anthracenedione, 1,5(or 1,8)-diamino-2-bromo-4,8(or 4,5)-dihydroxy-: ACTIVE
Preparation methods
PreparationSodium 9,10-dioxo-9,10-dihydroanthracene-1,4,5,8-tetrasulfonate four sodium salt with insurance powder to take off the sulfonylurea medications, amination, with bromide, sulfuric acid, boric acid brominated, hydrolysis.
Upstream & downstream products
Upstream raw materials
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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