Basic information
- CAS
6374-83-0- Standard SMILES
CC(=O)N(C)c1ccc(Br)c2c1C(=O)c1ccccc1C2=O- InChIKey
CHXMYKHJNWOGGP-UHFFFAOYSA-N- Molecular formula
- C17H12BrNO3
- Average molar mass
- 358.2 g/mol
- Monoisotopic mass
- 357.00005534
Names & identifiers
- Preferred name
- Acetamide, N-(4-bromo-9,10-dihydro-9,10-dioxo-1-anthracenyl)-N-methyl-
- IUPAC
- N-(4-bromo-9,10-dioxoanthracen-1-yl)-N-methylacetamide
- English name
- 1-bromo-4-(N-methylacetamido)anthraquinone
- Molecular formula
- C17H12BrNO3
- Molecular weight
- 358.19
Names & synonyms
6374-83-0Acetamide, N-(4-bromo-9,10-dihydro-9,10-dioxo-1-anthracenyl)-N-methyl-1-Bromo-4-(N-methylacetamido)-9,10-anthracenedioneDTXSID1064291RefChem:551730DTXCID3044095N-(4-bromo-9,10-dioxoanthracen-1-yl)-N-methylacetamideSCHEMBL9164766AKOS003610344N-(4-BROMO-9,10-DIOXO-9,10-DIHYDROANTHRACEN-1-YL)-N-METHYLACETAMIDE4-bromo-N-acetyl-1-methylaminoanthraquinoneN-Acetyl-1-Methylamino-4-Bromoanthraquinone
Show more names
1-bromo-4-(N-methylacetamido)anthraquinone4-Bromo-1-(N-methylacetylamino)anthraquinone4-Bromo-1-(N-acetyl-N-methylamino)anthraquinone
N-(4-bromo-9,10-dioxo-9,10-dihydro-1-anthracenyl)-N-methylacetamide
Database identifiers
- CAS
6374-83-0- PubChem CID
- 80770
- DTXSID
DTXSID1064291- EC Number
- 651-310-3
- Nikkaji
- J29.727E
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 506
Physicochemical properties
- Boiling point
- 540.2 · 540.2±50.0 °C(Predicted)
- Density
- 1.578 · 1.578±0.06 g/cm3(Predicted)
- pka
- -3.35 · -3.35±0.20(Predicted)
- EPA Substance Registry System
- Acetamide, N-(4-bromo-9,10-dihydro-9,10-dioxo-1-anthracenyl)-N-methyl- (6374-83-0)
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 400 · H400
- Precautionary statements
- 273 · P273-P391-P501
- TSCA
- TSCA listed
Safety & regulation
GHS classification
GHS Classification
Warning
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, 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.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H400
- Precautionary statements
- P273-P391-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationAcetamide, N-(4-bromo-9,10-dihydro-9,10-dioxo-1-anthracenyl)-N-methyl-: INACTIVE
Upstream & downstream products
Downstream products
Suppliers1 total
Alfa Chemistry+1-5166625404 · [email protected]
Related reactions
13 records
Compound notes
Loading…