Cas no 2449-19-6 (Boronic acid, 1,4-phenylenebis-, tetrabutylester (9CI))
2449-19-6 structure
Product Name:Boronic acid, 1,4-phenylenebis-, tetrabutylester (9CI)
CAS No:2449-19-6
MF:C22H40B2O4
MW:390.172607421875
CID:290437
PubChem ID:271697
Update Time:2025-04-19
Boronic acid, 1,4-phenylenebis-, tetrabutylester (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Boronic acid, 1,4-phenylenebis-, tetrabutylester (9CI)
- dibutoxy-(4-dibutoxyboranylphenyl)borane
- 1,4-bis(di-n-butoxy)-boryl-phenylene
- 1,4-bis(di-n-butylboronate)benzene
- dibutyl p-phenylenediboronate
- p-phenylenedi(dibutyl boronate)
- p-phenylenediboronic butylester
- tetra-B-butoxy-B,B'-p-phenylene-bis-borane
- tetrabutyl benzene-1,4-diylbisboronate
- Tetrabutyl p-phenylenediboronate
- 2449-19-6
- NSC115628
- NSC-115628
- DTXSID60297338
-
- Inchi： 1S/C22H40B2O4/c1-5-9-17-25-23(26-18-10-6-2)21-13-15-22(16-14-21)24(27-19-11-7-3)28-20-12-8-4/h13-16H,5-12,17-20H2,1-4H3
- InChI Key： WVVLCYRUHHDNQQ-UHFFFAOYSA-N
- SMILES： O(B(C1C=CC(B(OCCCC)OCCCC)=CC=1)OCCCC)CCCC
Computed Properties
- Exact Mass: 390.31100
- Monoisotopic Mass: 390.3112701g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 28
- Rotatable Bond Count: 18
- Complexity: 287
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 36.9?2
Experimental Properties
- PSA: 36.92000
- LogP: 4.34380
Boronic acid, 1,4-phenylenebis-, tetrabutylester (9CI) Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
-
Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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