1,4-Phenylenebis((4-(4-aminophenoxy)phenyl)methanone)
Basic information
- CAS
107194-50-3- Standard SMILES
Nc1ccc(Oc2ccc(C(=O)c3ccc(C(=O)c4ccc(Oc5ccc(N)cc5)cc4)cc3)cc2)cc1- InChIKey
HKWWRLBGQRLBRM-UHFFFAOYSA-N- Molecular formula
- C32H24N2O4
- Average molar mass
- 500.5 g/mol
- Monoisotopic mass
- 500.17360725
Names & identifiers
- Preferred name
- 1,4-Phenylenebis((4-(4-aminophenoxy)phenyl)methanone)
- IUPAC
- [4-[4-(4-aminophenoxy)benzoyl]phenyl]-[4-(4-aminophenoxy)phenyl]methanone
- English name
- 1,4-Phenylenebis[[4-(4-aminophenoxy)phenyl]methanone]
- Molecular formula
- C32H24N2O4
- Molecular weight
- 500.55
Names & synonyms
107194-50-31,4-Phenylenebis[[4-(4-aminophenoxy)phenyl]methanone]1,4-phenylenebis((4-(4-aminophenoxy)phenyl)methanone)DTXSID60405299RefChem:221048DTXCID20356152635-228-5[4-[4-(4-aminophenoxy)benzoyl]phenyl]-[4-(4-aminophenoxy)phenyl]methanoneSCHEMBL202216AKOS015894801ST50997537(1,4-Phenylene)bis{[4-(4-aminophenoxy)phenyl]methanone}
Show more names
1,4-bis(4-(aminophenoxy)benzoyl)benzeneMethanone, 1,4-phenylenebis[[4-(4-aMinophenoxy)phenyl]-Methanone, 1,4-phenylenebis[[4-(4-aminophenoxy)phenyl]- (9CI)
1,4-Phenylenebis[[4-(4-aminophenoxy)phenyl]methanone], 97%4-(4-aminophenoxy)phenyl 4-{[4-(4-aminophenoxy)phenyl]carbonyl}phenyl ketone
Database identifiers
- CAS
107194-50-3- PubChem CID
- 4657281
- DTXSID
DTXSID60405299- EC Number
- 635-228-5
- Nikkaji
- J1.341.149B
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 685
Physicochemical properties
- Melting point
- 238 °C · 238 °C (dec.)(lit.)
- Boiling point
- 724.01 · 724.010±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.279 · 1.279±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 4.692 · 4.692±0.10(predicted)
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 400 · H400
- Precautionary statements
- 273 · P273
- RIDADR
- 3077 · UN 3077 9 / PGIII
- WGK Germany
- 3 · 3
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
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 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Safety data
- wgk
- 3
- ridadr
- UN 3077 9 / PGIII
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H400
- Precautionary statements
- P273
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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