4-(5-Nitropyridin-2-yl)benzaldehyde
Basic information
- CAS
433920-97-9- Standard SMILES
O=Cc1ccc(-c2ccc([N+](=O)[O-])cn2)cc1- InChIKey
YIRZRDALQHIURV-UHFFFAOYSA-N- Molecular formula
- C12H8N2O3
- Average molar mass
- 228.2 g/mol
- Monoisotopic mass
- 228.05349212
Names & identifiers
- Preferred name
- 4-(5-Nitropyridin-2-yl)benzaldehyde
- IUPAC
- 4-(5-nitro-2-pyridinyl)benzaldehyde
- English name
- 4-(5-Nitro-2-pyridinyl)benzenecarbaldehyde
- Molecular formula
- C12H8N2O3
- Molecular weight
- 228.2
Names & synonyms
4-(5-nitropyridin-2-yl)benzaldehyde433920-97-94-(5-Nitro-2-pyridinyl)benzenecarbaldehydeMFCD058648314-(5-nitro-2-pyridyl)benzaldehyde4-(5-nitro-2-pyridinyl)benzaldehyde4-(5-Nitropyridin-2-yl)benzenecarboxaldehydeSCHEMBL6851944DTXSID90377238YIRZRDALQHIURV-UHFFFAOYSA-NSBB097271AKOS005070665
Show more names
Benzaldehyde, 4-(5-nitro-2-pyridinyl)-4-(5-NITROPYRIDIN-2-YL)BENZALDEHYDE, 95+%4-(5-NITRO-2-PYRIDINYL)BENZENECARBOXALDEHYDE4-(6-(Trifluoromethyl)pyridin-2-yl)benzaldehyde
DB-001650CS-0332276I813074Y-0703F730161
Database identifiers
- CAS
433920-97-9- PubChem CID
- 2763992
- DTXSID
DTXSID90377238
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 75.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 282
Physicochemical properties
- Melting point
- 180 · 180-182°C
- Boiling point
- 410 · 410.0±35.0 °C(Predicted)
- Density
- 1.331 · 1.331±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- -0.06 · -0.06±0.25(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2933399990 · 2933399990
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
- 2933399990
- hazard_code
- Xi
- hazard_class
- IRRITANT
Related reactions
7 records
Compound notes
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