Basic information
- CAS
22698-95-9- Standard SMILES
O=C1c2ccccc2C(=O)N1c1ccccc1Cl- InChIKey
HZJTXHXNUXBSFD-UHFFFAOYSA-N- Molecular formula
- C14H8ClNO2
- Average molar mass
- 257.67 g/mol
- Monoisotopic mass
- 257.0243562
Names & identifiers
- Preferred name
- Phthalimide, N-(o-chlorophenyl)-
- IUPAC
- 2-(2-chlorophenyl)isoindole-1,3-dione
- English name
- n-(2-chlorophenyl)phthalimide
- Molecular formula
- C14H8ClNO2
- Molecular weight
- 257.67
Names & synonyms
Phthalimide, N-(o-chlorophenyl)-22698-95-92-(2-chlorophenyl)isoindoline-1,3-dione2-(2-chlorophenyl)isoindole-1,3-dioneN-(2-CHLOROPHENYL)PHTHALIMIDE1H-Isoindole-1,3(2H)-dione, 2-(2-chlorophenyl)-2-(2-Chlorophenyl)-1H-isoindole-1,3(2H)-dione2-(2-Chlorophenyl)-2,3-dihydro-1H-isoindole-1,3-dioneNSC-406339NSC 406339N-(o-Chlorophenyl)phthalimideAI3-02624
Show more names
2-(2-Chlorophenyl)-2H-isoindole-1,3-dione
CTD84LPK3ROprea1_429448Oprea1_772903133151-27-6SCHEMBL2549717CHEMBL2430970DTXSID60177222HZJTXHXNUXBSFD-UHFFFAOYSA-N
Database identifiers
- CAS
22698-95-9- PubChem CID
- 89795
- DTXSID
DTXSID60177222- ChEMBL
CHEMBL2430970- UNII
- CTD84LPK3R
- Nikkaji
- J26.829A
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 347
Physicochemical properties
- Melting point
- 206 °C · 206 °C
- Boiling point
- 414.9 · 414.9±47.0 °C(Predicted)
- Density
- 1.441 · 1.441±0.06 g/cm3(Predicted)
- pka
- -1.46 · -1.46±0.20(Predicted)
- FDA UNII
- 84 LPK3R · CTD84LPK3R
Chemistry & industry
Suppliers4 total
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…