2-(4-bromo-2-methylphenyl)-2,3-dihydro-1H-isoindole-1,3-dione
Basic information
- CAS
519169-56-3- Standard SMILES
Cc1cc(Br)ccc1N1C(=O)c2ccccc2C1=O- InChIKey
UXOWCYKOWZBSCI-UHFFFAOYSA-N- Molecular formula
- C15H10BrNO2
- Average molar mass
- 316.15 g/mol
- Monoisotopic mass
- 314.98949
Names & identifiers
- Preferred name
- 2-(4-bromo-2-methylphenyl)-2,3-dihydro-1H-isoindole-1,3-dione
- IUPAC
- 2-(4-bromo-2-methylphenyl)isoindole-1,3-dione
- English name
- 2-(4-bromo-2-methylphenyl)-1H-isoindole-1,3(2H)-dione
- Molecular formula
- C15H10BrNO2
- Molecular weight
- 316.15
Names & synonyms
519169-56-32-(4-bromo-2-methylphenyl)-2,3-dihydro-1H-isoindole-1,3-dioneRefChem:456931840-853-32-(4-bromo-2-methylphenyl)isoindole-1,3-dione2-(4-bromo-2-methylphenyl)-1H-isoindole-1,3(2H)-dioneSTK253201AKOS000187630GS-9764G53450EN300-7239335SR-01000256296
Show more names
SR-01000256296-1Z198230306
Database identifiers
- CAS
519169-56-3- PubChem CID
- 897568
- EC Number
- 840-853-3
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 374
Physicochemical properties
- Boiling point
- 456.9 · 456.9±55.0 °C(Predicted)
- Density
- 1.586 · 1.586±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)
- pka
- -0.73 · -0.73±0.20(Predicted)
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…