N-[[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-nitro-4-(trifluoromethyl)aniline
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Basic information
- CAS
325480-15-7- Standard SMILES
O=[N+]([O-])c1cc(C(F)(F)F)ccc1NN=Cc1ccc(-c2cc(Cl)ccc2Cl)o1- InChIKey
KPSOFTOEQSZFRM-UHFFFAOYSA-N- Molecular formula
- C18H10Cl2F3N3O3
- Average molar mass
- 444.2 g/mol
- Monoisotopic mass
- 443.0051311
Names & identifiers
- Preferred name
- N-[[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-nitro-4-(trifluoromethyl)aniline
- IUPAC
- N-[[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-nitro-4-(trifluoromethyl)aniline
- English name
- 5-(2,5-dichlorophenyl)-2-furaldehyde [2-nitro-4-(trifluoromethyl)phenyl]hydrazone
- Molecular formula
- C18H10Cl2F3N3O3
- Molecular weight
- 444.19
Names & synonyms
1-{[5-(2,5-dichlorophenyl)furan-2-yl]methylidene}-2-[2-nitro-4-(trifluoromethyl)phenyl]hydrazine5-(2,5-dichlorophenyl)-2-furaldehyde [2-nitro-4-(trifluoromethyl)phenyl]hydrazone2-Furancarboxaldehyde, 5-(2,5-dichlorophenyl)-, 2-[2-nitro-4-(trifluoromethyl)phenyl]hydrazone
Database identifiers
- CAS
325480-15-7- PubChem CID
- 3413439
Properties
Computed structural propertiesFilling in
- XLogP
- 7.1
- Topological polar surface area
- 83.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 605
Physicochemical properties
- Boiling point
- 510.2 · 510.2±50.0 °C(Predicted)
- Density
- 1.52 · 1.52±0.1 g/cm3(Predicted)
- pka
- 11.91 · 11.91±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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