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9-BBN triflate solution - 0.5M in hexanes, high purity , CAS No.62731-43-5
Basic Description
Synonyms
9-Borabicyclo[3.3.1]nonyl trifluoromethanesulfonate solution, 9-[[(Trifluoromethyl)sulfonyl]oxy]-9-borabicyclo[3.3.1]nonane, 9-BBN triflate solution, 9-BBN·CF3SO3
Specifications & Purity
0.5M in hexanes
Product Description
Description
Reactant for:Preparation of a dialkylborenium ion stabilized by an N-heterocyclic carbeneMukaiyama aldol additionPreparation of porphyrin dimethyldioxanyl tolyl derivative complexPreparation of palladium porphyrin complexesBoron-mediated β-alkoxy Me ketone aldol addition reactionsEnolization agent
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Organic sulfonic acids and derivatives
Subclass
Organosulfonic acids and derivatives
Intermediate Tree Nodes
Alkanesulfonic acids and derivatives - Alkanesulfonic acids
Direct Parent
Trifluoromethanesulfonates
Alternative Parents
Borinanes Sulfonyls Methanesulfonates Trihalomethanes Organic metalloid salts Dialkylboranes Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Trifluoromethanesulfonate - Borinane - Methanesulfonate - Sulfonyl - Trihalomethane - Dialkylborane - Organoheterocyclic compound - Organic metalloid salt - Alkyl fluoride - Hydrocarbon derivative - Halomethane - Organic oxide - Organosulfur compound - Organofluoride - Organic metalloid moeity - Organohalogen compound - Alkylborane - Organic oxygen compound - Alkyl halide - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as trifluoromethanesulfonates. These are alkanesulfonic acids, that contain a sulfonate group that is substituted with a trifluoromethyl group.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
9-borabicyclo[3.3.1]nonan-9-yl trifluoromethanesulfonate
INCHI
InChI=1S/C9H14BF3O3S/c11-9(12,13)17(14,15)16-10-7-3-1-4-8(10)6-2-5-7/h7-8H,1-6H2
InChIKey
NXHUKDCGEGEZCX-UHFFFAOYSA-N
Smiles
B1(C2CCCC1CCC2)OS(=O)(=O)C(F)(F)F
Isomeric SMILES
B1(C2CCCC1CCC2)OS(=O)(=O)C(F)(F)F
WGK Germany
3
Molecular Weight
270.08
Beilstein
995656
Reaxy-Rn
995656
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=995656&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Flash Point(°F)
-7.6 °F
Flash Point(°C)
-22 °C
Molecular Weight
270.080 g/mol
XLogP3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
2
Exact Mass
270.071 Da
Monoisotopic Mass
270.071 Da
Topological Polar Surface Area
51.800 Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
354.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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