Benzenamine, 3-chloro-2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)-

HCID 94399

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Basic information

CAS: 29091-20-1
Standard SMILES: CCCN(CCC)c1c([N+](=O)[O-])cc(C(F)(F)F)c(Cl)c1[N+](=O)[O-]
InChIKey: MYVMMXACRYYJJK-UHFFFAOYSA-N
Molecular formula: C13H15ClF3N3O4
Average molar mass: 369.72 g/mol
Monoisotopic mass: 369.0703183

Names & identifiers

Preferred name: Benzenamine, 3-chloro-2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)-
IUPAC: 3-chloro-2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline
English name: 3-chloro-2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline
Molecular formula: C13H15ClF3N3O4
Molecular weight: 369.72

Names & synonyms

29091-20-1Benzenamine, 3-chloro-2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)-DTXSID4067436RefChem:561722DTXCID7037927608-314-53-chloro-2,6-dinitro-n,n-dipropyl-4-(trifluoromethyl)anilineSCHEMBL11563058AKOS015888779NS00002751N,N-di-n-propyl-3-chloro-2,6-dinitro-4-trifluoromethylaniline3-CHLOROTRIFLURALIN

Show more names

3-CHLORO-2,6-DINITRO-N,N-DIPROPYL-4-(TRIFLUOROMETHYL)-BENZ.7-chloro-1-[cyclohexyl(oxo)methyl]-5-phenyl-1,5-benzodiazepine-2,4-dione

Database identifiers

CAS: 29091-20-1
PubChem CID: 94399
DTXSID: DTXSID4067436
EC Number: 608-314-5
Nikkaji: J1.583.838H

Properties

Computed structural properties

XLogP: 5
Topological polar surface area: 94.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 5
Heavy atoms: 24
Formal charge: 0
Complexity: 449

Physicochemical properties

Boiling point: 414.3 · 414.3±45.0 °C(Predicted)
Density: 1.407 · 1.407±0.06 g/cm3(Predicted)
pka: -2.59 · -2.59±0.50(Predicted)
EPA Substance Registry System: 3 · Benzenamine, 3-chloro-2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)- (29091-20-1)
TSCA: TSCA listed