Basic information
- CAS
21021-53-4- Standard SMILES
O=C(O)CC(C(=O)O)c1ccc([N+](=O)[O-])cc1- InChIKey
HGBMGRXIQJGDDO-UHFFFAOYSA-N- Molecular formula
- C10H9NO6
- Average molar mass
- 239.18 g/mol
- Monoisotopic mass
- 239.04298701
Names & identifiers
- Preferred name
- 2-(4-Nitrophenyl)succinic acid
- IUPAC
- 2-(4-nitrophenyl)butanedioic acid
- English name
- 4-Nitrophenylsuccinic acid
- Molecular formula
- C10H9NO6
- Molecular weight
- 239.18
Names & synonyms
2-(4-Nitrophenyl)succinic acid21021-53-44-Nitrophenylsuccinic acid2-(4-nitrophenyl)butanedioic acid2-(4-NITRO-PHENYL)-SUCCINIC ACIDButanedioic acid, 2-(4-nitrophenyl)-MFCD00024766p-nitrophenyl succinic acidCambridge id 7178886Oprea1_422967Oprea1_757400p-Nitro phenyl succinic acid
Show more names
AKOS BBS-00000212(2S)-2-(4-nitrophenyl)butanedioate
2-(4-Nitrophenyl)succinicacidSCHEMBL2389109DTXSID50310348AB1560NSC226073SBB038145STK546909AKOS000268435
Database identifiers
- CAS
21021-53-4- PubChem CID
- 313002
- DTXSID
DTXSID50310348
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 315
Physicochemical properties
- Melting point
- 216 · 216-218°C
- Boiling point
- 404.8 · 404.8±35.0 °C(Predicted)
- Density
- 1.522 · 1.522±0.06 g/cm3(Predicted)
- pka
- 3.16 · 3.16±0.10(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
Applications
Uses2-(4-Nitrophenyl)succinic Acid can be useful in the preparation of aryl substituted 2-(4-nitrophenyl)-4-oxo-4-phenylbutanoates and 3-(4-nitrophenyl)-1-Ph-1,4-butanediols as inhibitors of rat liver microsomal retinoic acid metabolizing enzymes, preparation of 1-, and 3-substituted 3-(4'-aminophenyl)pyrrolidine-2,5-diones as selective inhibitors of aromatase, and preparation of diverse lactam carboxamides with potential transcription factor inhibitory activity.
Suppliers8 total
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
上海马氏化学科技有限公司19916721580 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
上海智乾生物科技有限公司[email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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