9,9-Dioctyl-9H-fluorene-2-boronic Acid Pinacol Ester - CAS 302554-81-0
Catalog: |
BB020505 |
Product Name: |
9,9-Dioctyl-9H-fluorene-2-boronic Acid Pinacol Ester |
CAS: |
302554-81-0 |
Synonyms: |
2-(9,9-dioctyl-2-fluorenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 2-(9,9-dioctylfluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
IUPAC Name: | 2-(9,9-dioctylfluoren-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
Description: | 9,9-Dioctyl-9H-fluorene-2-boronic Acid Pinacol Ester (CAS# 302554-81-0) is a useful research chemical. |
Molecular Weight: | 516.61 |
Molecular Formula: | C35H53O2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C4=CC=CC=C4C3(CCCCCCCC)CCCCCCCC |
InChI: | InChI=1S/C35H53BO2/c1-7-9-11-13-15-19-25-35(26-20-16-14-12-10-8-2)31-22-18-17-21-29(31)30-24-23-28(27-32(30)35)36-37-33(3,4)34(5,6)38-36/h17-18,21-24,27H,7-16,19-20,25-26H2,1-6H3 |
InChI Key: | VOASJDUTCQKQLE-UHFFFAOYSA-N |
Boiling Point: | 606.328 °C at 760 mmHg |
Purity: | 95 % |
Density: | 0.994 g/cm3 |
MDL: | MFCD16294553 |
LogP: | 9.75350 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2021005821-A1 | Materials for organic electroluminescent devices | 20180306 |
US-2020369678-A1 | Materials for organic electroluminescent devices | 20171124 |
US-2021024481-A1 | Materials for organic eletroluminescent devices | 20171124 |
US-2020277284-A1 | Materials for organic electroluminescent devices | 20171017 |
US-2019296242-A1 | Polymers with asymmetric repeating units | 20161130 |
Complexity: | 670 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 516.4138611 |
Formal Charge: | 0 |
Heavy Atom Count: | 38 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 516.4138611 |
Rotatable Bond Count: | 15 |
Topological Polar Surface Area: | 18.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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