Cas no 73758-18-6 (Tris(3,5-dimethylheptan-4-yl) Borate)
73758-18-6 structure
Product Name:Tris(3,5-dimethylheptan-4-yl) Borate
CAS No:73758-18-6
MF:C27H57BO3
MW:440.550689458847
CID:1763118
PubChem ID:52398
Update Time:2025-04-21
Tris(3,5-dimethylheptan-4-yl) Borate Chemical and Physical Properties
Names and Identifiers
-
- tris(3,5-dimethylheptan-4-yl) borate
- Tri(diisobutylcarbinyl) borate
- Tris(3,5-dimethyl-4-heptyl) borate
- BORIC ACID, TRIS(3,5-DIMETHYL-4-HEPTYL) ESTER
- AC1L1CVK
- NSC59765
- NSC-59765
- LS-45051
- Tris[1-(1-methylpropyl)-2-methylbutoxy]borane
- DTXSID10994648
- 73758-18-6
- NSC 59765
- 4-Heptanol,5-dimethyl-, triester with boric acid (H3BO3)
- Boric acid,5-dimethyl-4-heptyl) ester
- SCHEMBL718591
- Tris(3,5-dimethylheptan-4-yl) Borate
-
- Inchi： 1S/C27H57BO3/c1-13-19(7)25(20(8)14-2)29-28(30-26(21(9)15-3)22(10)16-4)31-27(23(11)17-5)24(12)18-6/h19-27H,13-18H2,1-12H3
- InChI Key： DALDOQDZVZPDLY-UHFFFAOYSA-N
- SMILES： O(B(OC(C(C)CC)C(C)CC)OC(C(C)CC)C(C)CC)C(C(C)CC)C(C)CC
Computed Properties
- Exact Mass: 439.44391
- Monoisotopic Mass: 440.44
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 31
- Rotatable Bond Count: 18
- Complexity: 341
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 6
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 27.7A^2
Experimental Properties
- Density: 0.849
- Melting Point: 99.5°C
- Boiling Point: 347.3°C at 760 mmHg
- Flash Point: 115.3°C
- Refractive Index: 1.435
- PSA: 27.69
- LogP: 8.40350
Tris(3,5-dimethylheptan-4-yl) Borate Related Literature
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3. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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