119009-98-2
HYDROTRIS(3-ISOPROPYL-4-BROMOPYRAZOL-1-YL)BORATE POTASSIUM SALT
NameHYDROTRIS(3-ISOPROPYL-4-BROMOPYRAZOL-1-YL)BORATE POTASSIUM SALT
FormulaC18 H25 B Br3 N6 O3 . K
1Identification
【Name】
HYDROTRIS(3-ISOPROPYL-4-BROMOPYRAZOL-1-YL)BORATE POTASSIUM SALT
【CAS】
【MDL】
MFCD00800554
【English Synonyms】
【Formula】
C18 H25 B Br3 N6 O3 . K
【MolWeight】
663.055
【Inchi】
InChI=1S/C18H25BBr3N6O3.K/c1-10(2)16-13(20)7-26(23-16)29-19(30-27-8-14(21)17(24-27)11(3)4)31-28-9-15(22)18(25-28)12(5)6;/h7-12,19H,1-6H3;/q-1;+1
【InChIKey】
InChIKey=XWWGETPKEMUDSL-UHFFFAOYSA-N
【SMILES】
[BH-](On1cc(c(n1)C(C)C)Br)(On2cc(c(n2)C(C)C)Br)On3cc(c(n3)C(C)C)Br.[K+]
【MOL File】
HYDROTRIS(3-ISOPROPY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:9
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
HYDROTRIS(3-ISOPROPYL-4-BROMOPYRAZOL-1-YL)BORATE POTASSIUM SALT.cml