3-(2,4-Dinitrophenoxy)benzaldehyde
Basic information
- CAS
2363-11-3- Standard SMILES
O=Cc1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1- InChIKey
YYQMCEXJWQWUFK-UHFFFAOYSA-N- Molecular formula
- C13H8N2O6
- Average molar mass
- 288.21 g/mol
- Monoisotopic mass
- 288.03823598
Names & identifiers
- Preferred name
- 3-(2,4-Dinitrophenoxy)benzaldehyde
- IUPAC
- 3-(2,4-dinitrophenoxy)benzaldehyde
- English name
- 3-(2,4-Dinitrophenoxy)benzaldehyde
- Molecular formula
- C13H8N2O6
- Molecular weight
- 288.21
Names & synonyms
3-(2,4-dinitrophenoxy)benzaldehyde2363-11-3MFCD00413206ZINC1693760benzaldehyde, 3-(2,4-dinitrophenoxy)-NSC66236Oprea1_066420Oprea1_197243MLS000709411CHEMBL1362107DTXSID40290049HMS2698C07
Show more names
ALBB-026363BBL022902NSC-66236STK056636ZINC01693760AKOS0002906533(24DINITROPHENOXY)BENZALDEHYDEBENZALDEHYDE3(24DINITROPHENOXY)
Database identifiers
- CAS
2363-11-3- PubChem CID
- 248786
- DTXSID
DTXSID40290049- ChEMBL
CHEMBL1362107
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 404
Physicochemical properties
- Melting point
- 125 °C · 125 °C
- Boiling point
- 440.4 · 440.4±35.0 °C(Predicted)
- Density
- 1.475 · 1.475±0.06 g/cm3(Predicted)
- HS Code
- 2913000090 · 2913000090
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
- 2913000090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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