106210-02-0
HYDROTRIS(3-PHENYLPYRAZOL-1-YL)BORATE, THALLIUM SALT
NameHYDROTRIS(3-PHENYLPYRAZOL-1-YL)BORATE, THALLIUM SALT
FormulaC27 H22 B N6 O3 . Tl
1Identification
【Name】
HYDROTRIS(3-PHENYLPYRAZOL-1-YL)BORATE, THALLIUM SALT
【CAS】
【MDL】
MFCD00800553
【English Synonyms】
【Formula】
C27 H22 B N6 O3 . Tl
【MolWeight】
693.701
【Inchi】
InChI=1S/C27H22BN6O3.Tl/c1-4-10-22(11-5-1)25-16-19-32(29-25)35-28(36-33-20-17-26(30-33)23-12-6-2-7-13-23)37-34-21-18-27(31-34)24-14-8-3-9-15-24;/h1-21,28H;/q-1;+1
【InChIKey】
InChIKey=BFBLFNZJVFZAIQ-UHFFFAOYSA-N
【SMILES】
[BH-](On1ccc(n1)c2ccccc2)(On3ccc(n3)c4ccccc4)On5ccc(n5)c6ccccc6.[Tl+]
【MOL File】
HYDROTRIS(3-PHENYLPY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:9
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
HYDROTRIS(3-PHENYLPYRAZOL-1-YL)BORATE, THALLIUM SALT.cml