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3,6-Dichlorobenzo[d]isoxazole - 97%, high purity , CAS No.16263-54-0

COA

Grade & Purity:

≥97%

Cas Number: 16263-54-0
Molecular Weight: 188.01
PubChem CID: 13568449
PubChem SID: 504767444

In stock

Item Number

D191321

Grouped product items
SKU	Size	Availability	Price
D191321-100mg	100mg	3	$39.90
D191321-250mg	250mg	2	$87.90
D191321-1g	1g	1	$315.90
D191321-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$1,421.90

Basic Description

Synonyms	3,6-Dichlorobenzo[d]isoxazole \| 16263-54-0 \| 3,6-DICHLORO-1,2-BENZOXAZOLE \| 3,6-dichlorobenzisoxazole \| 3,6-DICHLORO-1,2-BENZISOXAZOLE \| 3,6-Dichloro-benzo[d]isoxazole \| MFCD06659626 \| SCHEMBL1839676 \| DTXSID00544035 \| POPXRBHETNDMFP-UHFFFAOYSA-N \| AKOS006291816 \| AB25981 \| CS-W
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

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 chlorides Isoxazoles Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzisoxazole - Aryl chloride - Aryl halide - Benzenoid - Azole - Heteroaromatic compound - Isoxazole - Oxacycle - Azacycle - Organochloride - 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

Pubchem Sid	504767444
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504767444
IUPAC Name	3,6-dichloro-1,2-benzoxazole
INCHI	InChI=1S/C7H3Cl2NO/c8-4-1-2-5-6(3-4)11-10-7(5)9/h1-3H
InChIKey	POPXRBHETNDMFP-UHFFFAOYSA-N
Smiles	C1=CC2=C(C=C1Cl)ON=C2Cl
Isomeric SMILES	C1=CC2=C(C=C1Cl)ON=C2Cl
Molecular Weight	188.01
Reaxy-Rn	1567015
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1567015&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	188.010 g/mol
XLogP3	3.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	186.959 Da
Monoisotopic Mass	186.959 Da
Topological Polar Surface Area	26.000 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	155.000
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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