1-Amino-2-bromo-4-hydroxyanthraquinone
Basic information
- CAS
116-82-5- Standard SMILES
Nc1c(Br)cc(O)c2c1C(=O)c1ccccc1C2=O- InChIKey
MSSQDESMUMSQEN-UHFFFAOYSA-N- Molecular formula
- C14H8BrNO3
- Average molar mass
- 318.12 g/mol
- Monoisotopic mass
- 316.96875522
Names & identifiers
- Preferred name
- 1-Amino-2-bromo-4-hydroxyanthraquinone
- IUPAC
- 1-amino-2-bromo-4-hydroxyanthracene-9,10-dione
- English name
- 1-Amino-2-bromo-4-hydroxy-9,10-anthraquinone
- Molecular formula
- C14H8BrNO3
- Molecular weight
- 318.12
Names & synonyms
1-Amino-2-bromo-4-hydroxyanthraquinoneLatyl Red BSumkaron Red 3B9,10-Anthracenedione, 1-amino-2-bromo-4-hydroxy-Sandoplast Red 2BResiren Red T 3BC.I. Disperse Violet 17EINECS 204-160-41-AMINO-2-BROMO-4-HYDROXY-9,10-ANTHRACENEDIONENSC 176660BRN 1887275DTXSID2059439
Show more names
ROSABOMIDEsumkaronred3bresirenredt3bsandoplastred2bc.i.disperseviolet171-AMINO, 2-BROMO 4-HYDROXY AQ1-amino-2-brom-4-hydroxyanthrachinon
4-14-00-00897 (Beilstein Handbook Reference)RefChem:74858DTXCID6033378204-160-4MSSQDESMUMSQEN-UHFFFAOYSA-N116-82-51-amino-2-bromo-4-hydroxyanthracene-9,10-dioneDisperse Violet 17
Database identifiers
- CAS
116-82-5- PubChem CID
- 8320
- DTXSID
DTXSID2059439- EC Number
- 204-160-4
- Nikkaji
- J53.420J
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 80.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 413
Physicochemical properties
- Melting point
- 232 °C · 232 °C(Solv: benzene (71-43-2))
- Boiling point
- 547.7 · 547.7±50.0 °C(Predicted)
- Density
- 1.6689 · 1.6689 (rough estimate)
- refractive index
- 1.62 · 1.6200 (estimate)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 6.41 · 6.41±0.20(Predicted)
- Appearance
- Light brown to brown Solid
- CAS DataBase Reference
- 116 · 116-82-5(CAS DataBase Reference)
- EPA Substance Registry System
- 9 · 9,10-Anthracenedione, 1-amino-2-bromo-4-hydroxy- (116-82-5)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319
- Precautionary statements
- 261 · P261-P305+P351+P338
- TSCA
- TSCA listed
- HS Code
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
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: 9,10-Anthracenedione, 1-amino-2-bromo-4-hydroxy-
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Safety data
- tsca
- TSCA listed
- hs_code
- 2922509090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information9,10-Anthracenedione, 1-amino-2-bromo-4-hydroxy-: ACTIVE
Applications
Uses1-Amino-2-bromo-4-hydroxy-9,10-anthraquinone can be used to prepare various anthraquinone type disperse, active and vat dyes.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
7 records
Compound notes
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