1072945-06-2
4,4,5,5-TETRAMETHYL-2-(4-METHYL-3-NITROPHENYL)-1,3,2-DIOXABOROLANE
Name4,4,5,5-TETRAMETHYL-2-(4-METHYL-3-NITROPHENYL)-1,3,2-DIOXABOROLANE
1Identification
【Name】
4,4,5,5-TETRAMETHYL-2-(4-METHYL-3-NITROPHENYL)-1,3,2-DIOXABOROLANE
【CAS】
【MDL】
MFCD09027080
【English Synonyms】
【Formula】
C13 H18 B N O4
【MolWeight】
263.099
【Inchi】
InChI=1S/C13H18BNO4/c1-9-6-7-10(8-11(9)15(16)17)14-18-12(2,3)13(4,5)19-14/h6-8H,1-5H3
【InChIKey】
InChIKey=XYZOZOWGODLRCW-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2ccc(c(c2)[N+](=O)[O-])C
【MOL File】
4,4,5,5-TETRAMETHYL-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
4,4,5,5-TETRAMETHYL-2-(4-METHYL-3-NITROPHENYL)-1,3,2-DIOXABOROLANE.cml