2,4-dinitro-N-phenyl-6-(trifluoromethyl)aniline
Basic information
- CAS
63333-31-3- Standard SMILES
O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2ccccc2)c(C(F)(F)F)c1- InChIKey
BFRXEPDACBYGRZ-UHFFFAOYSA-N- Molecular formula
- C13H8F3N3O4
- Average molar mass
- 327.21 g/mol
- Monoisotopic mass
- 327.04669023
Names & identifiers
- Preferred name
- 2,4-dinitro-N-phenyl-6-(trifluoromethyl)aniline
- IUPAC
- 2,4-dinitro-N-phenyl-6-(trifluoromethyl)aniline
- English name
- 2,4-dinitro-N-phenyl-6-(trifluoromethyl)aniline
- Molecular formula
- C13H8F3N3O4
- Molecular weight
- 327.2155296
Names & synonyms
63333-31-32,4-dinitro-N-phenyl-6-(trifluoromethyl)anilineDesmethyl Des-2,4,6-Tribromo BromethalinBenzenamine, 2,4-dinitro-N-phenyl-6-(trifluoromethyl)-CHEMBL6175231SCHEMBL11063459DTXSID00391900BFRXEPDACBYGRZ-UHFFFAOYSA-NAE-473/33977018
Database identifiers
- CAS
63333-31-3- PubChem CID
- 3373091
- DTXSID
DTXSID00391900- ChEMBL
CHEMBL6175231
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 443
Physicochemical properties
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- color
- Yellow to Dark Yellow
Chemistry & industry
Applications
UsesDesmethyl Des-2,4,6-Tribromo Bromethalin is an intermediate in the synthesis of Bromethalin (B633330), which is used to protect plants from insect pests. Is attractant, chemosterilant and rodenticide for mice pest control.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…