Basic information
- CAS
5493-24-3- Standard SMILES
CC(=O)OCN1C(=O)c2ccccc2C1=O- InChIKey
TUKNTJVUVGIEQA-UHFFFAOYSA-N- Molecular formula
- C11H9NO4
- Average molar mass
- 219.19 g/mol
- Monoisotopic mass
- 219.05315777
Names & identifiers
- Preferred name
- ST4144427
- IUPAC
- (1,3-dioxoisoindol-2-yl)methyl acetate
- English name
- 1H-Isoindole-1,3(2H)-dione, 2-[(acetyloxy)methyl]-
- Molecular formula
- C11H9NO4
- Molecular weight
- 219.19
Names & synonyms
5493-24-3ST4144427DTXSID40406168RefChem:381546DTXCID40357020(1,3-Dioxoisoindolin-2-yl)methyl acetate(1,3-dioxoisoindol-2-yl)methyl AcetateMFCD004486861H-Isoindole-1,3(2H)-dione, 2-[(acetyloxy)methyl]-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl acetateN-(acetoxymethyl)phthalimiden-acetoxymethylphthalimide
Show more names
1-(1,3-dioxoisoindolin-2-yl)methyl acetate(1,3-Dioxoisoindolin-2-yl)acetic acid methyl ester
SCHEMBL2701523SCHEMBL29783149TUKNTJVUVGIEQA-UHFFFAOYSA-NSTK665788AKOS002663812SB64122(1,3-Dioxoisoindolin-2-yl)methylacetateDS-18726
Database identifiers
- CAS
5493-24-3- PubChem CID
- 4737795
- DTXSID
DTXSID40406168- Nikkaji
- J1.587.131H
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 63.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 315
Experimental & physicochemical properties
LogP1.15
Physicochemical properties
- Melting point
- 116.3 °C · 116.3 °C(Solvent: Ethanol 95%)
- Boiling point
- 345.039 · 345.039±25.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.369 · 1.369±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- -2.572 · -2.572±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 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
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers11 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉布林科技有限公司3456065315 13260619011 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
上海珂华生物科技有限公司021-60455363 18019463053 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
苏州新加源生物科技有限公司13816002113 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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