Skip to the beginning of the images gallery

3-(4-(Bromomethyl)phenyl)isoxazole - ≥98%, high purity , CAS No.169547-67-5

COA

Grade & Purity:

≥98%

Cas Number: 169547-67-5
Molecular Weight: 238.08
PubChem CID: 18663411

In stock

Item Number

P729361

Grouped product items
SKU	Size	Availability	Price
P729361-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$277.90
P729361-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$465.90
P729361-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,165.90

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	Isoxazoles Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives Alkyl bromides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Benzyl bromide - Azole - Isoxazole - Heteroaromatic compound - Oxacycle - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - 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	3-[4-(bromomethyl)phenyl]-1,2-oxazole
INCHI	InChI=1S/C10H8BrNO/c11-7-8-1-3-9(4-2-8)10-5-6-13-12-10/h1-6H,7H2
InChIKey	BCOYXVWQKCZGFL-UHFFFAOYSA-N
Smiles	C1=CC(=CC=C1CBr)C2=NOC=C2
Isomeric SMILES	C1=CC(=CC=C1CBr)C2=NOC=C2
PubChem CID	18663411
Molecular Weight	238.08

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	238.080 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	236.979 Da
Monoisotopic Mass	236.979 Da
Topological Polar Surface Area	26.000 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	157.000
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.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration

3-(4-(Bromomethyl)phenyl)isoxazole - ≥98%, high purity , CAS No.169547-67-5

Basic Description