Basic information
- CAS
247089-42-5- Standard SMILES
O=Cc1cccc(OCc2ccc([N+](=O)[O-])cc2)c1- InChIKey
GMZGJTDCLVLLQA-UHFFFAOYSA-N- Molecular formula
- C14H11NO4
- Average molar mass
- 257.24 g/mol
- Monoisotopic mass
- 257.06880783
Names & identifiers
- Preferred name
- 3-((4-Nitrobenzyl)oxy)benzaldehyde
- IUPAC
- 3-[(4-nitrophenyl)methoxy]benzaldehyde
- English name
- 3-((4-Nitrobenzyl)oxy)benzaldehyde
- Molecular formula
- C14H11NO4
- Molecular weight
- 257.24
Names & synonyms
247089-42-53-[(4-nitrobenzyl)oxy]benzaldehyde3-((4-NITROBENZYL)OXY)BENZALDEHYDE3-[(4-nitrophenyl)methoxy]benzaldehydeMFCD00621695Benzaldehyde, 3-[(4-nitrophenyl)methoxy]-3-({4-nitrobenzyl}oxy)benzaldehydeNSC211352Oprea1_238578Oprea1_439971SCHEMBL14554257DTXSID10309218
Show more names
ASISCHEM N40490OTAVA-BB 7116566272CHEMBRDG-BB 54844693-[(4-nitrobenzyl)oxy]benzaldehyde(SALTDATA: FREE)
ALBB-034881SBB101862STL293658AKOS000178968NSC-211352BS-35862DB-211949CS-0333486
Database identifiers
- CAS
247089-42-5- PubChem CID
- 309175
- DTXSID
DTXSID10309218- Nikkaji
- J1.197.617D
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 307
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 41 · 41-43
- Safety Statements
- 26 · 26-36/37-39
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
- risk_code
- 41-43
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37-39
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…