Basic information
- CAS
153171-22-3- Standard SMILES
O=C1c2ccccc2C(=O)N1Cc1ccc(Br)cc1- InChIKey
OEIUKCOEPYIPFD-UHFFFAOYSA-N- Molecular formula
- C15H10BrNO2
- Average molar mass
- 316.15 g/mol
- Monoisotopic mass
- 314.98949066
Names & identifiers
- Preferred name
- 2-(4-Bromobenzyl)isoindoline-1,3-dione
- IUPAC
- 2-[(4-bromophenyl)methyl]isoindole-1,3-dione
- English name
- 2-(4-bromobenzyl)-1H-isoindole-1,3(2H)-dione
- Molecular formula
- C15H10BrNO2
- Molecular weight
- 316.15
Names & synonyms
153171-22-32-(4-Bromobenzyl)isoindoline-1,3-dione2-(4-broMobenzyl)-1H-isoindole-1,3(2H)-dioneN-(4-Bromobenzyl)phthalimide2-[(4-bromophenyl)methyl]isoindole-1,3-dioneMFCD042102061H-Isoindole-1,3(2H)-dione, 2-[(4-bromophenyl)methyl]-N-(4-bromobenzyl)phthaimideSCHEMBL5400794-phthalimidomethyl bromobenzeneSCHEMBL31599260DTXSID10358408
Show more names
1325822-(4-bromobenzyl)-1H-isoindole-12-[(4-Bromophenyl)methyl]-1H-isoindol-1,3(2H)-dione2-[(4-Bromophenyl)methyl]-1H-isoindole-1,3(2H)-dione
OEIUKCOEPYIPFD-UHFFFAOYSA-N2-[(4-bromophenyl)methyl]-2,3-dihydro-1H-isoindole-1,3-dioneAKOS000343818SB64174AS-66146DB-125474CS-0186411N10157
Database identifiers
- CAS
153171-22-3- PubChem CID
- 893620
- DTXSID
DTXSID10358408- Nikkaji
- J1.469.197I
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 352
Physicochemical properties
- Melting point
- 133 °C · 133 °C
- Boiling point
- 445.7 · 445.7±28.0 °C(Predicted)
- Density
- 1.604 · 1.604±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- pka
- -2.29 · -2.29±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers28 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
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Related reactions
2 records
Compound notes
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