Basic information
- CAS
1222-98-6- Standard SMILES
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1- InChIKey
WDZGGAFMGIOIQS-DHZHZOJOSA-N- Molecular formula
- C15H11NO3
- Average molar mass
- 253.25 g/mol
- Monoisotopic mass
- 253.07389321
Names & identifiers
- Preferred name
- 4-Nitrochalcone
- IUPAC
- (E)-3-(4-nitrophenyl)-1-phenylprop-2-en-1-one
- English name
- [(E)-4-Nitrostyryl]phenyl ketone
- Molecular formula
- C15H11NO3
- Molecular weight
- 253.25
Names & synonyms
4-Nitrochalcone1222-98-62-Propen-1-one, 3-(4-nitrophenyl)-1-phenyl-3-(4-Nitrophenyl)-1-phenyl-2-propen-1-onep-Nitrostyryl phenyl ketoneCHALCONE, 4-NITRO-p-NitrobenzylideneacetophenoneDTXSID7049211YT67D88ODYNSC-636936DTXCID9029067NSC-3383
Show more names
4-Nitro-trans-chalcone(E)-4-Nitrochalcone[(E)-4-Nitrostyryl]phenyl ketone(E)-1-Phenyl-3-(4-nitrophenyl)-2-propene-1-one2-Propen-1-one, 3-(4-nitrophenyl)-1-phenyl-, (2E)-
RefChem:525952214-949-5(E)-3-(4-nitrophenyl)-1-phenylprop-2-en-1-one2960-55-6MFCD00007382(2E)-3-(4-nitrophenyl)-1-phenylprop-2-en-1-oneNSC636936(E)-3-(4-nitrophenyl)-1-phenyl-prop-2-en-1-one
Database identifiers
- CAS
1222-98-6、2960-55-6- PubChem CID
- 5377323
- DTXSID
DTXSID7049211- ChEMBL
CHEMBL106771- UNII
- YT67D88ODY
- EC Number
- 214-949-5
- Nikkaji
- J151.104A、J217.070A
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 62.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 345
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 164 · 164-164.5 °C
- Boiling point
- 399.2 · 399.2±34.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (85.7%): Causes skin irritation [Warning Skin corrosion/irritation]
P203, P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 7 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (85.7%)
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Propen-1-one, 3-(4-nitrophenyl)-1-phenyl-: INACTIVE
Upstream & downstream products
Upstream raw materials
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…