Basic information
- CAS
3489-09-6- Standard SMILES
O=[N+]([O-])c1ccc(C=Nc2ccc(F)cc2)cc1- InChIKey
UEWFWADWOAOYFA-UHFFFAOYSA-N- Molecular formula
- C13H9FN2O2
- Average molar mass
- 244.22 g/mol
- Monoisotopic mass
- 244.0648057
Names & identifiers
- Preferred name
- N-(4-fluorophenyl)-1-(4-nitrophenyl)methanimine
- IUPAC
- N-(4-fluorophenyl)-1-(4-nitrophenyl)methanimine
- English name
- (E)-4-Fluoro-N-(4-nitrobenzylidene)aniline
- Molecular formula
- C13H9FN2O2
- Molecular weight
- 244.22
Names & synonyms
N-(4-fluorophenyl)-1-(4-nitrophenyl)methanimine4-fluoro-N-(4-nitrobenzylidene)aniline3489-09-6ST50987007SCHEMBL320369SCHEMBL320370SCHEMBL10045508DTXSID60340535UEWFWADWOAOYFA-OQLLNIDSSA-NAKOS001589909AKOS024358107AG-205/32384064
Show more names
(E)-4-Fluoro-N-(4-nitrobenzylidene)anilineBenzenamine, 4-fluoro-N-[(4-nitrophenyl)methylene]-(E)-4-Fluoro-N-(4-nitrobenzylidene)aniline
Benzene, 1-(4-fluorophenyliminomethyl)-4-nitro-(E)-N-(4-Fluorophenyl)-1-(4-nitrophenyl)methanimine(E)-4-Fluoro-N-(4-nitrobenzylidene)aniline, AldrichCPR4-Fluoro-N-[(E)-(4-nitrophenyl)methylidene]aniline #(1Z)-1-(4-fluorophenyl)-2-(4-nitrophenyl)-1-azaethene
Database identifiers
- CAS
3489-09-6- PubChem CID
- 565459
- DTXSID
DTXSID60340535- Nikkaji
- J544.949I
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 301
Physicochemical properties
- Boiling point
- 393.9 · 393.9±27.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- pka
- 1.33 · 1.33±0.50(Predicted)
- form
- solid
- InChI
- 1S/C13H9FN2O2/c14-11-3-5-12(6-4-11)15-9-10-1-7-13(8-2-10)16(17)18/h1-9H/b15-9+
- InChIKey
- UEWFWADWOAOYFA-OQLLNIDSSA-N
- SMILES
- [O-][N+](=O)c1ccc(cc1)\C=N\c2ccc(F)cc2
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
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
- wgk
- WGK 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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