The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser.
For the best experience on our site, be sure to turn on Javascript in your browser.
This is a demo store. No orders will be fulfilled.
We use cookies to keep things working smoothly and to improve your experience.
Choose what’s okay for you below. See our Cookie Policy .
Accept Cookies
3-Methyl-5-(trifluoromethoxy)phenylboronic acid, pinacol ester - 95%, high purity , CAS No.1150561-56-0
Discover 3-Methyl-5-(trifluoromethoxy)phenylboronic acid, pinacol ester by Aladdin Scientific in 95% for only $1,631.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-[3-methyl-5-(trifluoromethoxy)phenyl]- | MFCD12026088 | BS-19436 | DTXSID90675049 | AKOS025293837 | 1150561-56-0 | 3-Methyl-5-(trifluoromethoxy)phenylboronic acid, pinacol ester | 3-Methyl-5-(trifluoromethoxy)phe
Specifications & Purity
≥95%
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 Toluenes Dioxaborolanes Boronic acid esters Trihalomethanes Oxacyclic compounds Organic metalloid salts Organooxygen compounds Organometalloid compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenoxy compound - Phenol ether - Toluene - Monocyclic benzene moiety - Boronic acid ester - 1,3,2-dioxaborolane - Trihalomethane - Boronic acid derivative - Oxacycle - Organic metalloid salt - Organoheterocyclic compound - Organofluoride - Organic metalloid moeity - Organohalogen compound - Alkyl fluoride - Hydrocarbon derivative - Halomethane - Organic oxygen compound - Organooxygen compound - Alkyl halide - Aromatic heteromonocyclic 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
4,4,5,5-tetramethyl-2-[3-methyl-5-(trifluoromethoxy)phenyl]-1,3,2-dioxaborolane
INCHI
InChI=1S/C14H18BF3O3/c1-9-6-10(8-11(7-9)19-14(16,17)18)15-20-12(2,3)13(4,5)21-15/h6-8H,1-5H3
InChIKey
FTVLDBHZEMFMKS-UHFFFAOYSA-N
Smiles
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)OC(F)(F)F)C
Isomeric SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)OC(F)(F)F)C
Molecular Weight
302.1
Reaxy-Rn
41279470
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=41279470&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
302.100 g/mol
XLogP3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
2
Exact Mass
302.13 Da
Monoisotopic Mass
302.13 Da
Topological Polar Surface Area
27.700 Ų
Heavy Atom Count
21
Formal Charge
0
Complexity
368.000
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
Solution Calculators
Molarity Calculator
Determine the necessary mass, volume, or concentration for preparing a solution.
Dilution Calculator
Determine the dilution needed to prepare a stock solution.
Reconstitution Calculator
Shall we send you a message when we have discounts available?
Remind me later
Allow
Thank you! Please check your email inbox to confirm.
Oops! Notifications are disabled.
