4,4,5,5-Tetramethyl-2-(4-(trifluoromethoxy)phenyl)-1,3,2-dioxaborolane - ≥98% , CAS No.474709-28-9

CAS: 474709-28-9 Cat. No.: T589210 Molecular Weight: 288.08 EC Number: 675-104-8 PubChem CID: 2760603

GRADE & PURITY ≥98%

Synonyms

AKOS015960085 | FT-0644715 | AB22732 | F12867 | MFCD05863920 | 4-(Trifluoromethoxy)phenylboronic acid pinacol ester, 97% | 1,3,2-DIOXABOROLANE, 4,4,5,5-TETRAMETHYL-2-[4-(TRIFLUOROMETHOXY)PHENYL]- | 4-trifluoromethoxyphenylboronic acid, pinacol ester | AMY

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

AKOS015960085 | FT-0644715 | AB22732 | F12867 | MFCD05863920 | 4-(Trifluoromethoxy)phenylboronic acid pinacol ester, 97% | 1, 3, 2-DIOXABOROLANE, 4, 4, 5, 5-TETRAMETHYL-2-[4-(TRIFLUOROMETHOXY)PHENYL]- | 4-trifluoromethoxyphenylboronic acid, pinacol ester | AMY

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)OC(F)(F)F
• IUPAC Name: 4,4,5,5-tetramethyl-2-[4-(trifluoromethoxy)phenyl]-1,3,2-dioxaborolane
• InChIKey: ZSFXWWRILASQRI-UHFFFAOYSA-N
• INCHI: 1S/C13H16BF3O3/c1-11(2)12(3,4)20-14(19-11)9-5-7-10(8-6-9)18-13(15,16)17/h5-8H,1-4H3
• Isomeric SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)OC(F)(F)F
• PubChem CID: 2760603
• Molecular Weight: 288.08

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Dioxaborolanes Boronic acid esters Trihalomethanes Oxacyclic compounds Organic metalloid salts Organooxygen compounds Organofluorides Organoboron compounds Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Monocyclic benzene moiety - Boronic acid ester - 1,3,2-dioxaborolane - Trihalomethane - Boronic acid derivative - Oxacycle - Organic metalloid salt - Organoheterocyclic compound - Organooxygen compound - Organofluoride - Organoboron compound - Organohalogen compound - Alkyl fluoride - Hydrocarbon derivative - Halomethane - Organic oxygen compound - Alkyl halide - Organic salt - 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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 288.070 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 288.114 Da
• Monoisotopic Mass: 288.114 Da
• Topological Polar Surface Area: 27.700 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 333.000
• 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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