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4-Fluoro-3-(4，4，5，5-tetramethyl-1，3，2-dioxaborolan-2-yl)phenol - ≥95%, high purity , CAS No.1398923-95-9

COA

Grade & Purity:

≥95%

Cas Number: 1398923-95-9
Molecular Weight: 256.08
PubChem CID: 56737712

In stock

Item Number

F691351

Grouped product items
SKU	Size	Availability	Price
F691351-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$24.90
F691351-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$33.90
F691351-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$100.90
F691351-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$347.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Phenols
    - Subclass Halophenols
      - Level5 Fluorophenols
        Level6 P-fluorophenols

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenols
Subclass	Halophenols
Intermediate Tree Nodes	Fluorophenols
Direct Parent	P-fluorophenols
Alternative Parents	Fluorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl fluorides Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Organooxygen compounds Organometalloid compounds Organofluorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	4-fluorophenol - 1-hydroxy-2-unsubstituted benzenoid - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Boronic acid ester - 1,3,2-dioxaborolane - Boronic acid derivative - Oxacycle - Organic metalloid salt - Organoheterocyclic compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organofluoride - Organic metalloid moeity - Organohalogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as p-fluorophenols. These are fluorophenols carrying a iodine at the C4 position of the benzene ring.
External Descriptors	Not available
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

Names and Identifiers

IUPAC Name	4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
INCHI	InChI=1S/C12H16BFO3/c1-11(2)12(3,4)17-13(16-11)9-7-8(15)5-6-10(9)14/h5-7,15H,1-4H3
InChIKey	GXQGRXFGHPKHTH-UHFFFAOYSA-N
Smiles	B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)O)F
Isomeric SMILES	B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)O)F
PubChem CID	56737712
Molecular Weight	256.08

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	238.060 g/mol
XLogP3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	238.118 Da
Monoisotopic Mass	238.118 Da
Topological Polar Surface Area	38.700 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	279.000
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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