Basic information
- CAS
21313-49-5- Standard SMILES
O=C(CN1C(=O)c2ccccc2C1=O)Oc1ccc([N+](=O)[O-])cc1- InChIKey
FSCDNNJLCIKUHL-UHFFFAOYSA-N- Molecular formula
- C16H10N2O6
- Average molar mass
- 326.26 g/mol
- Monoisotopic mass
- 326.05388604
Overview
4-nitrophenyl phthalimidoacetate is a carboxylic ester obtained by formal condensation of the carboxy group of phthalimidoacetic acid with the phenolic hydroxy group of 4-nitrophenol. It is a carboxylic ester, a C-nitro compound and a member of phthalimides. It is functionally related to a glycine, a 4-nitrophenol and a phthalimide.
Names & identifiers
- Preferred name
- 4-Nitrophenyl phthalimidoacetate
- IUPAC
- (4-nitrophenyl) 2-(1,3-dioxoisoindol-2-yl)acetate
- English name
- Pht-Gly-ONp
- Molecular formula
- C16H10N2O6
- Molecular weight
- 326.26
Names & synonyms
21313-49-5Pht-Gly-Onp4-nitrophenyl phthalimidoacetatePHTHALOYL-GLYCINE 4-NITOROPHENYL ESTER(4-nitrophenyl) 2-(1,3-dioxoisoindol-2-yl)acetateMFCD001909954-nitrophenyl 2-(1,3-dioxoisoindolin-2-yl)acetateCHEBI:750584-nitrophenyl (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetateCBChromo1_000031Probes1_000167Probes2_000342
Show more names
PHTHALOYL-GLYCINE 4-NITROPHENYL ESTERPhthaloyl-glycine 4-nitorophenyl ester≥ 99% (HPLC)2H-Isoindole-2-acetic acid, 1,3-dihydro-1,3-dioxo-, 4-nitrophenyl ester
Oprea1_150896CBDivE_009698p-nitrophenyl phthalimidoacetateCHEMBL2447903DTXSID00354893STK837175AKOS000574706FP49616
Database identifiers
- CAS
21313-49-5- PubChem CID
- 786265
- DTXSID
DTXSID00354893- ChEMBL
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 525
Physicochemical properties
- Melting point
- 180 · 180-181.5 °C
- Boiling point
- 530.8 · 530.8±35.0 °C(Predicted)
- Density
- 1.499 · 1.499±0.06 g/cm3(Predicted)
- pka
- -2.59 · -2.59±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
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
四川嘉瑛莱科技有限责任公司028-64159575 · [email protected]
Additional notes
DefinitionChEBI: 4-nitrophenyl phthalimidoacetate is a carboxylic ester obtained by formal condensation of the carboxy group of phthalimidoacetic acid with the phenolic hydroxy group of 4-nitrophenol. It is a C-nitro compound, a carboxylic ester and a member of phthalimides. It is functionally related to a 4-nitrophenol, a glycine and a phthalimide.
Related reactions
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Compound notes
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