Identification Chemical Properties Safety Data Hazard Information Supplier Related Products

230615-59-5

Name 2,3,4,5-Tetrahydro-7,8-dinitro-3-(trifluoroacetyl)-1,5-methano-1H-3-benzazepine
CAS 230615-59-5
Molecular Formula C13H10F3N3O5
MDL Number MFCD10566032
Molecular Weight 345.23
MOL File 230615-59-5.mol

Chemical Properties

Melting point  175-177°C
Boiling point  520.4±50.0 °C(Predicted)
density  1.604
storage temp.  Sealed in dry,2-8°C
solubility  Chloroform (Slightly), Methanol (Slightly)
form  Solid
pka -1.93±0.20(Predicted)
color  White to Light Yellow
InChI InChI=1S/C13H10F3N3O5/c14-13(15,16)12(20)17-4-6-1-7(5-17)9-3-11(19(23)24)10(18(21)22)2-8(6)9/h2-3,6-7H,1,4-5H2
InChIKey BDTXJBWOCIFUMR-UHFFFAOYSA-N
SMILES C(=O)(N1CC2CC(C3=CC([N+]([O-])=O)=C([N+]([O-])=O)C=C32)C1)C(F)(F)F

Safety Data

Symbol(GHS) 
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P280-P301+P312-P302+P352-P305+P351+P338

Hazard Information

Supplier