Benzenesulfonamide, N-(4-amino-9,10-dihydro-3-methoxy-9,10-dioxo-1-anthracenyl)-
Basic information
- CAS
69563-51-5- Standard SMILES
COc1cc(NS(=O)(=O)c2ccccc2)c2c(c1N)C(=O)c1ccccc1C2=O- InChIKey
ZUWHJJGOYZUNDW-UHFFFAOYSA-N- Molecular formula
- C21H16N2O5S
- Average molar mass
- 408.4 g/mol
- Monoisotopic mass
- 408.07799279
Names & identifiers
- Preferred name
- Benzenesulfonamide, N-(4-amino-9,10-dihydro-3-methoxy-9,10-dioxo-1-anthracenyl)-
- IUPAC
- N-(4-amino-3-methoxy-9,10-dioxoanthracen-1-yl)benzenesulfonamide
- English name
- N-(4-amino-9,10-dihydro-3-methoxy-9,10-dioxo-1-anthryl)benzenesulphonamide
- Molecular formula
- C21H16N2O5S
- Molecular weight
- 408.42714
Names & synonyms
69563-51-5Benzenesulfonamide, N-(4-amino-9,10-dihydro-3-methoxy-9,10-dioxo-1-anthracenyl)-DTXSID8071986EINECS 274-040-4EC 274-040-4N-(4-Amino-9,10-dihydro-3-methoxy-9,10-dioxo-1-anthryl)benzenesulphonamideN-(4-Amino-9,10-dihydro-3-methoxy-9,10-dioxo-1-anthracenyl)benzenesulfonamideRefChem:563828DTXCID9046522274-040-4n-(4-amino-3-methoxy-9,10-dioxo-9,10-dihydroanthracen-1-yl)benzenesulfonamideBZF3HL8PG7
Show more names
N-[(4-Amino-9,10-dihydro-3-methoxy-9,10-dioxoanthracen)-1-yl]benzenesulfonamide
SCHEMBL7566865NS00005786H612201-amino-2-methoxy-4-benzenesulfonamidoanthraquinone
Database identifiers
- CAS
69563-51-5- PubChem CID
- 112289
- DTXSID
DTXSID8071986- UNII
- BZF3HL8PG7
- EC Number
- 274-040-4
- Nikkaji
- J318.002F
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 743
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 320 ℃[at · 320℃[at 101 325 Pa]
- Density
- 1.3 · 1.3[at 20℃]
- vapor pressure
- 0 Pa · 0Pa at 25℃
- Water Solubility
- 254 ng/L · 254ng/L at 20℃
- LogP
- 3.71 at · 3.71 at 23℃
- EPA Substance Registry System
- Benzenesulfonamide, N-(4-amino-9,10-dihydro-3-methoxy-9,10-dioxo-1-anthracenyl)- (69563-51-5)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 373 · H373-H317
- Precautionary statements
- 260 · P260-P314-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
- TSCA
- TSCA listed
- REACH Registrations
- Active
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 42.9% (3 of 7) of reports.
Warning
H317 (57.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P260, P261, P272, P280, P302+P352, P319, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 7 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Benzenesulfonamide, N-(4-amino-9,10-dihydro-3-methoxy-9,10-dioxo-1-anthracenyl)-
REACH registered substance: N-(4-amino-9,10-dihydro-3-methoxy-9,10-dioxo-1-anthryl)benzenesulphonamide (EC: 274-040-4)
Benzenesulfonamide, N-(4-amino-9,10-dihydro-3-methoxy-9,10-dioxo-1-anthracenyl)-: 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 CategoriesSkin Sens. 1 (57.1%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H373-H317
- REACH Registrations
- Active
- Precautionary statements
- P260-P314-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonamide, N-(4-amino-9,10-dihydro-3-methoxy-9,10-dioxo-1-anthracenyl)-: ACTIVE
Related reactions
1 records
Compound notes
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