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2-Hydroxyphenyltrifluoroborate potassium salt - 95%, high purity , CAS No.850313-92-7
Basic Description
Synonyms
2-HYDROXYPHENYLTRIFLUOROBORATE POTASSIUM SALT | FT-0648305 | POTASSIUM TRIFLUORO(2-HYDROXYPHENYL)BORATE | MFCD07781243 | 2-hydroxyphenyltrifluoroborate potassium salt, AldrichCPR | EN300-2302607 | Potassium 2-hydroxyphenyltrifluoroborate | AS-2998 | A9151
Specifications & Purity
≥95%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenols
Subclass
1-hydroxy-4-unsubstituted benzenoids
Intermediate Tree Nodes
Not available
Direct Parent
1-hydroxy-4-unsubstituted benzenoids
Alternative Parents
1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Boronic acid derivatives Organic metalloid salts Organic metal halides Organooxygen compounds Organometalloid compounds Organic potassium salts Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Boronic acid derivative - Organic metal halide - Organic alkali metal salt - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organic potassium salt - Organic salt - Organooxygen compound - Organic metalloid moeity - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as 1-hydroxy-4-unsubstituted benzenoids. These are phenols that are unsubstituted at the 4-position.
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
potassium;trifluoro-(2-hydroxyphenyl)boranuide
INCHI
InChI=1S/C6H5BF3O.K/c8-7(9,10)5-3-1-2-4-6(5)11;/h1-4,11H;/q-1;+1
InChIKey
GNJVFVXTMQKQGP-UHFFFAOYSA-N
Smiles
[B-](C1=CC=CC=C1O)(F)(F)F.[K+]
Isomeric SMILES
[B-](C1=CC=CC=C1O)(F)(F)F.[K+]
PubChem CID
23680958
Molecular Weight
200
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
200.010 g/mol
XLogP3
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
0
Exact Mass
200.002 Da
Monoisotopic Mass
200.002 Da
Topological Polar Surface Area
20.200 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
141.000
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
2
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