2-Anthracenecarboxamide, 1-amino-N-(3-bromo-9,10-dihydro-9,10-dioxo-2-anthracenyl)-9,10-dihydro-9,10-dioxo-
Basic information
- CAS
52740-90-6- Standard SMILES
Nc1c(C(=O)Nc2cc3c(cc2Br)C(=O)c2ccccc2C3=O)ccc2c1C(=O)c1ccccc1C2=O- InChIKey
CNBMPLAEVDUBAN-UHFFFAOYSA-N- Molecular formula
- C29H15BrN2O5
- Average molar mass
- 551.3 g/mol
- Monoisotopic mass
- 550.01643
Names & identifiers
- Preferred name
- 2-Anthracenecarboxamide, 1-amino-N-(3-bromo-9,10-dihydro-9,10-dioxo-2-anthracenyl)-9,10-dihydro-9,10-dioxo-
- IUPAC
- 1-amino-N-(3-bromo-9,10-dioxoanthracen-2-yl)-9,10-dioxoanthracene-2-carboxamide
- English name
- 1-amino-N-(3-bromo-9,10-dihydro-9,10-dioxo-2-anthryl)-9,10-dihydro-9,10-dioxoanthracene-2-carboxamide
- Molecular formula
- C29H15BrN2O5
- Molecular weight
- 551.34
Names & synonyms
EINECS 258-148-952740-90-62-Anthracenecarboxamide, 1-amino-N-(3-bromo-9,10-dihydro-9,10-dioxo-2-anthracenyl)-9,10-dihydro-9,10-dioxo-DTXSID40687991-Amino-N-(3-bromo-9,10-dihydro-9,10-dioxo-2-anthryl)-9,10-dihydro-9,10-dioxoanthracene-2-carboxamideRefChem:465248DTXCID9041285258-148-91-amino-n-(3-bromo-9,10-dioxo-9,10-dihydroanthracen-2-yl)-9,10-dioxo-9,10-dihydroanthracene-2-carboxamideCNBMPLAEVDUBAN-UHFFFAOYSA-NNS000325681-Amino-N-(3-bromo-2-anthraquinonyl)-9,10-dihydro-9,10-dioxoanthracene-2-carboxamide
Show more names
1-amino-9,10-dioxo-9,10-dihydro-anthracene-2-carboxylic acid-(3-bromo-9,10-dioxo-9,10-dihydro-[2]anthrylamide)1-amino-N-(3-bromo-9,10-dihydro-9,10-dioxo-2-anthracenyl)-9,10-dihydro-9,10-dioxo-2-Anthracenecarboxamide 2-anthracenecarboxamide, 1-amino-n-(3-bromo-9,10-dihydro-9,10-dioxo-2-anthracen
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 1,010
Physicochemical properties
- Boiling point
- 739.6 · 739.6±60.0 °C(Predicted)
- Density
- 1.691 · 1.691±0.06 g/cm3(Predicted)
- pka
- 11.02 · 11.02±0.20(Predicted)
- EPA Substance Registry System
- 2 · 2-Anthracenecarboxamide, 1-amino-N-(3-bromo-9,10-dihydro-9,10-dioxo-2-anthracenyl)-9,10-dihydro-9,10-dioxo- (52740-90-6)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
- 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
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 9 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H317
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Anthracenecarboxamide, 1-amino-N-(3-bromo-9,10-dihydro-9,10-dioxo-2-anthracenyl)-9,10-dihydro-9,10-dioxo-: ACTIVE
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Compound notes
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