Skip to the beginning of the images gallery

7-bromo-1,2-benzisoxazole - 97%, high purity , CAS No.1260751-81-2

COA

Grade & Purity:

≥97%

Cas Number: 1260751-81-2
Molecular Weight: 198.02
EC Number: 814-255-8
MDL number: MFCD11520894
PubChem CID: 55274444

In stock

Item Number

B627927

Grouped product items
SKU	Size	Availability	Price
B627927-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$322.90
B627927-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$484.90
B627927-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,426.90

Basic Description

Synonyms	1,2-Benzisoxazole, 7-bromo- \| 7-bromo-1,2-benzisoxazole \| AS-34107 \| PB40148 \| A889803 \| AKOS006324088 \| SY022360 \| 1260751-81-2 \| 7-bromo-1,2-benzoxazole \| 7-Bromobenzisoxazole \| EN300-96187 \| MFCD11520894 \| 7-Bromobenzo[d]isoxazole \| DTXSID00717247
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzisoxazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzisoxazoles
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzisoxazoles
Alternative Parents	Benzenoids Aryl bromides Isoxazoles Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzisoxazole - Aryl bromide - Aryl halide - Benzenoid - Azole - Heteroaromatic compound - Isoxazole - Oxacycle - Azacycle - Organobromide - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as benzisoxazoles. These are aromatic compounds containing a benzene ring fused to an isoxazole ring. Isoxazole is five-membered ring with three carbon atoms, and an oxygen atom next to a nitrogen atom.
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	7-bromo-1,2-benzoxazole
INCHI	InChI=1S/C7H4BrNO/c8-6-3-1-2-5-4-9-10-7(5)6/h1-4H
InChIKey	VPBZAQSRLLWRSX-UHFFFAOYSA-N
Smiles	C1=CC2=C(C(=C1)Br)ON=C2
Isomeric SMILES	C1=CC2=C(C(=C1)Br)ON=C2
Alternate CAS	1260751-81-2
PubChem CID	55274444
Molecular Weight	198.02

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	198.020 g/mol
XLogP3	2.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	196.948 Da
Monoisotopic Mass	196.948 Da
Topological Polar Surface Area	26.000 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	131.000
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