Skip to the beginning of the images gallery

3-Chloro-6-fluorobenzo[d]isoxazole - 97%, high purity , CAS No.374554-89-9

COA

Grade & Purity:

≥97%

Cas Number: 374554-89-9
Molecular Weight: 171.56
PubChem CID: 66570665

In stock

Item Number

C193053

Grouped product items
SKU	Size	Availability	Price	Qty
C193053-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$18.90
C193053-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$62.90

Discover 3-Chloro-6-fluorobenzo[d]isoxazole by Aladdin Scientific in 97% for only $18.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	3-Chloro-6-fluorobenzo[d]isoxazole \| 374554-89-9 \| 3-CHLORO-6-FLUORO-1,2-BENZOXAZOLE \| SCHEMBL7124248 \| DTXSID30735272 \| KOCRLZPOPOTYCU-UHFFFAOYSA-N \| MFCD16996105 \| AKOS015999182 \| AB71606 \| DS-1960 \| CS-0019169 \| EN300-250878
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 fluorides Aryl chlorides Isoxazoles Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzisoxazole - Aryl chloride - Aryl fluoride - Aryl halide - Benzenoid - Heteroaromatic compound - Azole - Isoxazole - Oxacycle - Azacycle - Organochloride - Organohalogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organofluoride - Organonitrogen 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	3-chloro-6-fluoro-1,2-benzoxazole
INCHI	InChI=1S/C7H3ClFNO/c8-7-5-2-1-4(9)3-6(5)11-10-7/h1-3H
InChIKey	KOCRLZPOPOTYCU-UHFFFAOYSA-N
Smiles	C1=CC2=C(C=C1F)ON=C2Cl
Isomeric SMILES	C1=CC2=C(C=C1F)ON=C2Cl
Molecular Weight	171.56
Reaxy-Rn	14158432
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14158432&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	171.550 g/mol
XLogP3	2.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	170.989 Da
Monoisotopic Mass	170.989 Da
Topological Polar Surface Area	26.000 Å²
Heavy Atom Count	11
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