2-(3,4-Dichlorophenyl)-1,3-dioxoisoindoline-5-carboxylic acid
Basic information
- CAS
285552-82-1- Standard SMILES
O=C(O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)c(Cl)c1)C2=O- InChIKey
WQJRCVALNJFUHE-UHFFFAOYSA-N- Molecular formula
- C15H7Cl2NO4
- Average molar mass
- 336.1 g/mol
- Monoisotopic mass
- 334.9752131
Names & identifiers
- Preferred name
- 2-(3,4-Dichlorophenyl)-1,3-dioxoisoindoline-5-carboxylic acid
- IUPAC
- 2-(3,4-dichlorophenyl)-1,3-dioxoisoindole-5-carboxylic acid
- English name
- 2-(3,4-Dichloro-phenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
- Molecular formula
- C15H7Cl2NO4
- Molecular weight
- 336.13
Names & synonyms
2-(3,4-dichlorophenyl)-1,3-dioxoisoindoline-5-carboxylic acid285552-82-12-(3,4-dichlorophenyl)-1,3-dioxoisoindole-5-carboxylic acidMFCD004060142-(3,4-dichlorophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid1H-isoindole-5-carboxylic acid, 2-(3,4-dichlorophenyl)-2,3-dihydro-1,3-dioxo-Oprea1_424497DTXSID001142918ALBB-017659STK247668AKOS001073420SB64939
Show more names
2-(3,4-dichlorophenyl)-1,3-dioxo-isoindole-5-carboxylic acid2-(3,4-dichlorophenyl)-1,3-dioxo-5-isoindolinecarboxylic acid2-(3,4-dichlorophenyl)-1,3-diketo-isoindoline-5-carboxylic acid2-(3,4-Dichloro-phenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
LS-05809ST106493CS-0270640ST50780823EN300-04967G30125SR-01000078695SR-01000078695-1
Database identifiers
- CAS
285552-82-1- PubChem CID
- 766599
- DTXSID
DTXSID001142918
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 74.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 512
Physicochemical properties
- Melting point
- 290 · 290-292 °C
- Boiling point
- 597.3 · 597.3±60.0 °C(Predicted)
- Density
- 1.654 · 1.654±0.06 g/cm3(Predicted)
- pka
- 3.28 · 3.28±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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