9,10-Anthracenedione, 1-amino-4-hydroxy-2-(2-phenoxyethoxy)-
Basic information
- CAS
17418-59-6- Standard SMILES
Nc1c(OCCOc2ccccc2)cc(O)c2c1C(=O)c1ccccc1C2=O- InChIKey
QIQBPLFYOLFHTB-UHFFFAOYSA-N- Molecular formula
- C22H17NO5
- Average molar mass
- 375.4 g/mol
- Monoisotopic mass
- 375.11067264
Names & identifiers
- Preferred name
- 9,10-Anthracenedione, 1-amino-4-hydroxy-2-(2-phenoxyethoxy)-
- IUPAC
- 1-amino-4-hydroxy-2-(2-phenoxyethoxy)anthracene-9,10-dione
- English name
- 1-amino-4-hydroxy-2-(2-phenoxyethoxy)anthraquinone
- Molecular formula
- C22H17NO5
- Molecular weight
- 375.37408
Names & synonyms
17418-59-6EINECS 241-443-19,10-Anthracenedione, 1-amino-4-hydroxy-2-(2-phenoxyethoxy)-1-Amino-4-hydroxy-2-(2-phenoxyethoxy)anthraquinoneDTXSID7066196RefChem:548684DTXCID8035556241-443-11-amino-4-hydroxy-2-(2-phenoxyethoxy)anthracene-9,10-dioneSCHEMBL10895437QIQBPLFYOLFHTB-UHFFFAOYSA-NNS00021752
Show more names
1-Amino-4-hydroxy-2-(2-phenoxyethoxy)-9,10-anthracenedione
Database identifiers
- CAS
17418-59-6- PubChem CID
- 87107
- DTXSID
DTXSID7066196- EC Number
- 241-443-1
- Nikkaji
- J287.044D
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 98.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 575
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Density
- 1.41 · 1.41[at 20℃]
- vapor pressure
- 0 Pa · 0Pa at 20℃
- Water Solubility
- 95.9 μg/L · 95.9μg/L at 20℃
- LogP
- 4.9 at · 4.9 at 25℃
- EPA Substance Registry System
- 9 · 9,10-Anthracenedione, 1-amino-4-hydroxy-2-(2-phenoxyethoxy)- (17418-59-6)
- 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
- 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 66.7% (2 of 3) of all reports.
Warning
H317 (33.3%): 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 3 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 9,10-Anthracenedione, 1-amino-4-hydroxy-2-(2-phenoxyethoxy)-
REACH registered substance: 1-amino-4-hydroxy-2-(2-phenoxyethoxy)anthraquinone (EC: 241-443-1)
Hazard Classes and CategoriesSkin Sens. 1 (33.3%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H317
- REACH Registrations
- Active
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing Information9,10-Anthracenedione, 1-amino-4-hydroxy-2-(2-phenoxyethoxy)-: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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