Sodium Tetrakis[3,5-bis(trifluoromethyl)phenyl]borate - CAS 79060-88-1
Catalog: |
BB036278 |
Product Name: |
Sodium Tetrakis[3,5-bis(trifluoromethyl)phenyl]borate |
CAS: |
79060-88-1 |
Synonyms: |
sodium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide; sodium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide |
IUPAC Name: | sodium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide |
Description: | Sodium Tetrakis[3,5-bis(trifluoromethyl)phenyl]borate (CAS# 79060-88-1) is a compound used in catalytic cycles due to its inability to coordinate to metal centres. |
Molecular Weight: | 886.20 |
Molecular Formula: | C32H12F24BNa |
Canonical SMILES: | [B-](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)(C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)(C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F.[Na+] |
InChI: | InChI=1S/C32H12BF24.Na/c34-25(35,36)13-1-14(26(37,38)39)6-21(5-13)33(22-7-15(27(40,41)42)2-16(8-22)28(43,44)45,23-9-17(29(46,47)48)3-18(10-23)30(49,50)51)24-11-19(31(52,53)54)4-20(12-24)32(55,56)57;/h1-12H;/q-1;+1 |
InChI Key: | LTGMONZOZHXAHO-UHFFFAOYSA-N |
MDL: | MFCD00043323 |
LogP: | 11.21440 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22265471 | 20120115 | Microspheres aided introduction of ionophore and ion-exchanger to the ion-selective membrane | Talanta |
21413687 | 20110415 | Highly cis-selective Rh(I)-catalyzed cyclopropanation reactions | The Journal of organic chemistry |
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Complexity: | 1060 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 886.0546507 |
Formal Charge: | 0 |
Heavy Atom Count: | 58 |
Hydrogen Bond Acceptor Count: | 25 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 886.0546507 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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