4'-(2'',4''-Dinitro-6''-trifluoromethylphenyl)-aminobenzo-15-crown-5

Catalog Number

ACM78857860

Product Name

4'-(2'',4''-Dinitro-6''-trifluoromethylphenyl)-aminobenzo-15-crown-5

Structure

CAS

78857-86-0

Category

Heterocyclic Organic Compound

Synonyms

SBB017848, 78857-86-0, N-[2,4-dinitro-6-(trifluoromethyl)phenyl]-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-amine, ZINC04329316, AC1MC6TV, MolPort-001-771-238, FT-0617336, A839513, 4-[2",4"-Dinitro-6"-(trifluoromethyl)phenyl]aminobenzo-15-crown-5, [4,6-dinitro-2-(trifluoromethyl)phenyl]-1,2,3,4,5,6,7,8,9,10,11,12,13-tridecah ydrobenzo[3,4-a][15]annulen-15-ylamine, N-[2,4-dinitro-6-(trifluoromethyl)phenyl]-2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-amine

IUPAC Name

N-[2,4-dinitro-6-(trifluoromethyl)phenyl]-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-amine

Molecular Weight

517.41

Molecular Formula

C₂₁H₂₂F₃N₃O₉

Canonical SMILES

C1COCCOC2=C(C=C(C=C2)NC3=C(C=C(C=C3C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-])OCCOCCO1

InChI Key

UKVAAIIDTQAOHN-UHFFFAOYSA-N

Boiling Point

571ºC at 760 mmHg

Melting Point

171ºC

Flash Point

299.1ºC

Density

1.382g/cm³

Exact Mass

517.13100

Hazard Statements

Xi: Irritant;

H-Bond Acceptor

13

H-Bond Donor

1

MSDS

COA

Spec Sheet