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3-Butoxy-5-(trifluoromethoxy)phenylboronic acid - 97%, high purity , CAS No.1256345-96-6
Discover 3-Butoxy-5-(trifluoromethoxy)phenylboronic acid by Aladdin Scientific in 97% for only $63.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
1256345-96-6 | 3-BUTOXY-5-(TRIFLUOROMETHOXY)PHENYLBORONIC ACID | (3-Butoxy-5-(trifluoromethoxy)phenyl)boronic acid | [3-butoxy-5-(trifluoromethoxy)phenyl]boronic acid | (3-Butoxy-5-(trifluoromethoxy)phenyl)boronicacid | DTXSID80681634 | LJAITWONDCKJGB-UHFFFAOYSA-N | MF
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenol ethers
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Phenol ethers
Alternative Parents
Phenoxy compounds Alkyl aryl ethers Trihalomethanes Boronic acids Organic metalloid salts Organometalloid compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Trihalomethane - Boronic acid derivative - Boronic acid - Organic metalloid salt - Ether - Organic metalloid moeity - Organohalogen compound - Alkyl fluoride - Organic oxygen compound - Hydrocarbon derivative - Halomethane - Alkyl halide - Organofluoride - Organooxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
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
[3-butoxy-5-(trifluoromethoxy)phenyl]boronic acid
INCHI
InChI=1S/C11H14BF3O4/c1-2-3-4-18-9-5-8(12(16)17)6-10(7-9)19-11(13,14)15/h5-7,16-17H,2-4H2,1H3
InChIKey
LJAITWONDCKJGB-UHFFFAOYSA-N
Smiles
B(C1=CC(=CC(=C1)OC(F)(F)F)OCCCC)(O)O
Isomeric SMILES
B(C1=CC(=CC(=C1)OC(F)(F)F)OCCCC)(O)O
PubChem CID
53216392
Molecular Weight
278
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
278.030 g/mol
XLogP3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Rotatable Bond Count
6
Exact Mass
278.094 Da
Monoisotopic Mass
278.094 Da
Topological Polar Surface Area
58.900 Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
263.000
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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