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2-(2-(Bromomethyl)phenyl)-5， 5-dimethyl-1， 3， 2-dioxaborinane - ≥98%, high purity , CAS No.166821-88-1

COA

Grade & Purity:

≥98%

Cas Number: 166821-88-1
Molecular Weight: 282.98
PubChem CID: 2794654

In stock

Item Number

P690792

Grouped product items
SKU	Size	Availability	Price
P690792-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$54.90
P690792-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$162.90
P690792-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$650.90
P690792-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,677.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzyl halides

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzyl halides
Intermediate Tree Nodes	Not available
Direct Parent	Benzyl bromides
Alternative Parents	Boronic acid esters Oxacyclic compounds Organic metalloid salts Organooxygen compounds Organobromides Organoboron compounds Hydrocarbon derivatives Alkyl bromides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Benzyl bromide - Boronic acid ester - Boronic acid derivative - Organoheterocyclic compound - Oxacycle - Organic metalloid salt - Organic salt - Organooxygen compound - Organobromide - Organoboron compound - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Alkyl bromide - Alkyl halide - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzyl bromides. These are organic compounds containing a benzene skeleton substituted with a bromomethyl group.
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	2-[2-(bromomethyl)phenyl]-5,5-dimethyl-1,3,2-dioxaborinane
INCHI	InChI=1S/C12H16BBrO2/c1-12(2)8-15-13(16-9-12)11-6-4-3-5-10(11)7-14/h3-6H,7-9H2,1-2H3
InChIKey	KPXRRKYYMYMEKC-UHFFFAOYSA-N
Smiles	B1(OCC(CO1)(C)C)C2=CC=CC=C2CBr
Isomeric SMILES	B1(OCC(CO1)(C)C)C2=CC=CC=C2CBr
PubChem CID	2794654
Molecular Weight	282.98

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

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

Analytical Chart:

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2 results found

Lot Number	Certificate Type	Date	Item
B2510089	Certificate of Analysis	Feb 14, 2025	P690792
B2510091	Certificate of Analysis	Feb 14, 2025	P690792

Chemical and Physical Properties

Molecular Weight	282.970 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	282.043 Da
Monoisotopic Mass	282.043 Da
Topological Polar Surface Area	18.500 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	225.000
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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