Diethyl 2-(2,4-dinitrophenyl)propanedioate
Basic information
- CAS
4950-04-3- Standard SMILES
CCOC(=O)C(C(=O)OCC)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
YSRUGWMANDAALR-UHFFFAOYSA-N- Molecular formula
- C13H14N2O8
- Average molar mass
- 326.26 g/mol
- Monoisotopic mass
- 326.07501541
Names & identifiers
- Preferred name
- Diethyl 2-(2,4-dinitrophenyl)propanedioate
- IUPAC
- diethyl 2-(2,4-dinitrophenyl)propanedioate
- English name
- Propanedioic acid, 2-(2,4-dinitrophenyl)-, 1,3-diethyl ester
- Molecular formula
- C13H14N2O8
- Molecular weight
- 326.26
Names & synonyms
4950-04-3Diethyl 2-(2,4-dinitrophenyl)malonatediethyl(2,4-dinitrophenyl)malonatediethyl 2-(2,4-dinitrophenyl)propanedioatediethyl (2,4-dinitrophenyl)propanedioateNSC46724SCHEMBL8443380DTXSID10286636NSC-46724STK331799AKOS005439463DS-010774
Show more names
CS-0255107E82581F668312Propanedioic acid, 2-(2,4-dinitrophenyl)-, 1,3-diethyl ester
Database identifiers
- CAS
4950-04-3- PubChem CID
- 240504
- DTXSID
DTXSID10286636- Nikkaji
- J1.821.338I
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 452
Physicochemical properties
- Melting point
- 52 °C · 52 °C
- Boiling point
- 452.3 · 452.3±45.0 °C(Predicted)
- Density
- 1.381 · 1.381±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 8.44 · 8.44±0.46(Predicted)
- Appearance
- White to light yellow Solid
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…