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5-Chloro-2-(4，4，5，5-tetramethyl-1，3，2-dioxaborolan-2-yl)phenol - ≥97%, high purity , CAS No.1377503-12-2

COA

Grade & Purity:

≥97%

Cas Number: 1377503-12-2
Molecular Weight: 254.52
PubChem CID: 67609314

In stock

Item Number

C734685

Grouped product items
SKU	Size	Availability	Price	Qty
C734685-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$60.90
C734685-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$120.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Phenols
    - Subclass Halophenols
      - Level5 Chlorophenols
        Level6 M-chlorophenols

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenols
Subclass	Halophenols
Intermediate Tree Nodes	Chlorophenols
Direct Parent	M-chlorophenols
Alternative Parents	Chlorobenzenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Dioxaborolanes Boronic acid esters Vinyl chlorides Oxacyclic compounds Organic metalloid salts Chloroalkenes Organooxygen compounds Organochlorides Organoboron compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	3-chlorophenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Chlorobenzene - Monocyclic benzene moiety - 1,3,2-dioxaborolane - Boronic acid ester - Boronic acid derivative - Oxacycle - Organic metalloid salt - Chloroalkene - Haloalkene - Organoheterocyclic compound - Vinyl halide - Vinyl chloride - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organooxygen compound - Organochloride - Organoboron compound - Organohalogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as m-chlorophenols. These are chlorophenols carrying a iodine at the C3 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	5-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
INCHI	InChI=1S/C12H16BClO3/c1-11(2)12(3,4)17-13(16-11)9-6-5-8(14)7-10(9)15/h5-7,15H,1-4H3
InChIKey	ABVROALGWBBEGX-UHFFFAOYSA-N
Smiles	B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)Cl)O
Isomeric SMILES	B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)Cl)O
PubChem CID	67609314
Molecular Weight	254.52

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	254.520 g/mol
XLogP3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	254.088 Da
Monoisotopic Mass	254.088 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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