508223-55-0
4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-2-(TRIFLUOROMETHYL)-BENZENAMINE
Name4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-2-(TRIFLUOROMETHYL)-BENZENAMINE
1Identification
【Name】
4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-2-(TRIFLUOROMETHYL)-BENZENAMINE
【CAS】
【MDL】
MFCD16996231
【English Synonyms】
【Formula】
C13 H17 B F3 N O2
【MolWeight】
287.087
【Inchi】
InChI=1S/C13H17BF3NO2/c1-11(2)12(3,4)20-14(19-11)8-5-6-10(18)9(7-8)13(15,16)17/h5-7H,18H2,1-4H3
【InChIKey】
InChIKey=MPVAGHXDGGCCHU-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2ccc(c(c2)C(F)(F)F)N
【MOL File】
4-(4,4,5,5-TETRAMETH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-2-(TRIFLUOROMETHYL)-BENZENAMINE.cml