Basic information
- CAS
12217-79-7- Standard SMILES
Nc1ccc(O)c2c1C(=O)c1c(O)cc(Cl)c(N)c1C2=O- InChIKey
SIRMWLMEYFPGAD-UHFFFAOYSA-N- Molecular formula
- C14H9ClN2O4
- Average molar mass
- 304.68 g/mol
- Monoisotopic mass
- 304.0250845
Names & identifiers
- Preferred name
- 9,10-Anthracenedione, 1,5-diaminochloro-4,8-dihydroxy-
- IUPAC
- 1,5-diamino-2-chloro-4,8-dihydroxyanthracene-9,10-dione
- English name
- Disperse Blue 56
- Molecular formula
- C14H9BrN2O4
- Molecular weight
- 349.14
Names & synonyms
12217-79-79,10-Anthracenedione, 1,5-diaminochloro-4,8-dihydroxy-EINECS 235-401-1DTXSID0065270RefChem:107457DTXCID1033741615-488-671807-39-11,5-diamino-2-chloro-4,8-dihydroxyanthracene-9,10-dione1,5-Diaminochloro-4,8-dihydroxy-9,10-anthracenedione1,5-Diamino-2-chloro-4,8-dihydroxy-9,10-anthracenedione25356-27-8
Show more names
1,5-Diamino-2-bromo-4,8-dihydroxy anthracenedioneBlue 2BLNC.I. 63285LATYL BLUE BCNSerilene Blue RLTerasil Blue 3RLSAMARON BLUE FBLRESOLIN BLUE FBLDISPERSE BLUE 56Lumacron Blue 2BLN
1,5-Diaminochloro-4,8-dihydroxyanthraquinoneDisperse Blue 56 (Technical Grade)SCHEMBL11749241SIRMWLMEYFPGAD-UHFFFAOYSA-NNS000199371,5-Diamino-2-chloro-4,8-dihydroxyanthraquinone9,10-Anthracenedione, 1,5-diamino-2-chloro-4,8-dihydroxy-
Database identifiers
Properties
Computed structural properties
- XLogP
- 2.5
- 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
Physicochemical properties
- Boiling point
- 129 °C · 129°C (rough estimate)
- Density
- 1.441 · 1.4410 (rough estimate)
- refractive index
- 1.68 · 1.6800 (estimate)
- CAS DataBase Reference
- 12217 · 12217-79-7(CAS DataBase Reference)
- FDA UNII
- 26 YA0E1FU · K26YA0E1FU
- EPA Substance Registry System
- 9 · 9,10-Anthracenedione, 1,5-diaminochloro-4,8-dihydroxy- (12217-79-7)
- 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
This chemical does not meet GHS hazard criteria for 100% (34 of 34) of all reports.
Not Classified
Aggregated GHS information provided per 34 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 9,10-Anthracenedione, 1,5-diaminochloro-4,8-dihydroxy-
9,10-Anthracenedione, 1,5-diaminochloro-4,8-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 CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information9,10-Anthracenedione, 1,5-diaminochloro-4,8-dihydroxy-: ACTIVE
Applications
UsesDisperse Blue 56 can be used for textile dyeing and printing
Preparation methods
PreparationAnthracene-9,10-dionemercury sulfate, concentrated sulfuric acid sulfonation, with hydrochloric acid, chloride, sodium chlorate, with phenol, a phenoxy group of potassium hydroxide, and nitration, hydrolysis, reduction with sodium, bromide with bromine; dinitro anthraquinone with phenol, potassium phenoxy, nitration, hydrolysis, reduction, and bromide; dinitroanthraquinone with methanol and potassium hydroxide methoxy, nitration, hydrolysis, reduction, and bromide
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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