1-BUTYL-2-[2-[3-[(1-BUTYL-6-CHLOROBENZ[CD]INDOL-2(1H)-YLIDENE)ETHYLIDENE]-2-CHLORO-1-CYCLOHEXEN-1-YL]ETHENYL]-6-CHLOROBENZ[CD]INDOLIUM TETRAFLUOROBORATE

The IR-1048 tetrafluoroborate is an organic compound with the formula C₄₀H₃₈Cl₃N₂^.BF₄. The systematic name of this chemical is 1-butyl-2-[(E)-2-{(3Z)-3-[(2E)-2-(1-butyl-6-chlorobenzo[cd]indol-2(1H)-ylidene)ethylidene]-2-chlorocyclohex-1-en-1-yl}ethenyl]-6-chlorobenzo[cd]indolium tetrafluoroborate. With the CAS registry number 155613-98-2, it is also named as Benz[cd]indolium, 1-butyl-2-[2-[3-[(1-butyl-6-chlorobenz[cd]indol-2(1H)-ylidene)ethylidene]-2-chloro-1-cyclohexen-1-yl]ethenyl]-6-chloro-, tetrafluoroborate(1-) (9CI). Besides, it should be stored in a closed cool and dry place.

Physical properties about IR-1048 tetrafluoroborate are: (1)#H bond acceptors: 2 ; (2)#Freely Rotating Bonds: 9.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: F[B-](F)(F)F.CCCC[N+]=7c1ccc(Cl)c2cccc(c12)C=7/C=C/C=6CCC\C(=C\C=C5/c4cccc3c(Cl)ccc(c34)N5CCCC)\C=6Cl
(2)InChI: InChI=1/C40H38Cl3N2.BF4/c1-3-5-24-44-34(30-14-8-12-28-32(41)18-22-36(44)38(28)30)20-16-26-10-7-11-27(40(26)43)17-21-35-31-15-9-13-29-33(42)19-23-37(39(29)31)45(35)25-6-4-2;2-1(3,4)5/h8-9,12-23H,3-7,10-11,24-25H2,1-2H3;/q+1;-1
(3)InChIKey: IKZNCEDZIQWVNS-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C40H38Cl3N2.BF4/c1-3-5-24-44-34(30-14-8-12-28-32(41)18-22-36(44)38(28)30)20-16-26-10-7-11-27(40(26)43)17-21-35-31-15-9-13-29-33(42)19-23-37(39(29)31)45(35)25-6-4-2;2-1(3,4)5/h8-9,12-23H,3-7,10-11,24-25H2,1-2H3;/q+1;-1
(5)Std. InChIKey: IKZNCEDZIQWVNS-UHFFFAOYSA-N