Basic information
- CAS
108302-82-5- Standard SMILES
O=C(O)CCc1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1- InChIKey
NZNKSEVNZBZPCJ-UHFFFAOYSA-N- Molecular formula
- C9H8N2O7
- Average molar mass
- 256.17 g/mol
- Monoisotopic mass
- 256.0331506
Overview
(4-Hydroxy-3,5-dinitrophenyl)propionic acid is a dinitrophenol.
Names & identifiers
- Preferred name
- 3-(4-Hydroxy-3,5-dinitrophenyl)propanoic acid
- IUPAC
- 3-(4-hydroxy-3,5-dinitrophenyl)propanoic acid
- English name
- 3-(3,5-Dinitro-4-hydroxyphenyl)*propioni C acid
- Molecular formula
- C9H8N2O7
- Molecular weight
- 256.17
Names & synonyms
3-(4-Hydroxy-3,5-dinitrophenyl)propanoic acid108302-82-53-(3,5-DINITRO-4-HYDROXYPHENYL)*PROPIONI C ACIDBenzenepropanoic acid,4-hydroxy-3,5-dinitro-(4-Hydroxy-3,5-dinitrophenyl)propionic acidNSC1510843-(4-Hydroxy-3,5-dinitrophenyl)propionic acidSCHEMBL7820506DTXSID103024613,5-DINITROPHLORETIC ACIDCHEBI:216016NZNKSEVNZBZPCJ-UHFFFAOYSA-N
Show more names
Benzenepropanoic acid, 4-hydroxy-3,5-dinitro-
NSC-1510843-(4-Hydroxy-3,5-dinitrophenyl)propanoic acid #
Database identifiers
- CAS
108302-82-5- PubChem CID
- 289352
- DTXSID
DTXSID10302461- ChEBI
CHEBI:216016- Nikkaji
- J1.402.399B
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 324
Physicochemical properties
- Melting point
- 135 °C · 135 °C
- Boiling point
- 423.3 · 423.3±40.0 °C(Predicted)
- Density
- 1.647 · 1.647±0.06 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- pka
- 3.68 · 3.68±0.10(Predicted)
- HS Code
- 2921490090 · 2921490090
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
- hs_code
- 2921490090
Chemistry & industry
Suppliers2 total
SIGMA—
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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