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5-Chloro-3-phenylisoxazole - 97%, high purity , CAS No.3356-89-6

COA

Grade & Purity:

≥97%

Cas Number: 3356-89-6
Molecular Weight: 179.6
PubChem CID: 326080

In stock

Item Number

C192809

Grouped product items
SKU	Size	Availability	Price	Qty
C192809-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$62.90
C192809-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$260.90

Basic Description

Synonyms	5-Chloro-3-phenylisoxazole \| 3356-89-6 \| 5-chloro-3-phenyl-1,2-oxazole \| 3-Phenyl-5-chloroisoxazole \| Isoxazole, 5-chloro-3-phenyl- \| 5-CHLORO-3-PHENYL-OXAZOLE \| NSC295879 \| 5-chloro-3-phenyl-isoxazole \| SCHEMBL929198 \| CHEMBL3276976 \| DTXSID50315671 \| MFCD00046079 \| AKOS0062750
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organohalogen compounds
  - Class Aryl halides
    - Subclass Aryl chlorides

Kingdom	Organic compounds
Superclass	Organohalogen compounds
Class	Aryl halides
Subclass	Aryl chlorides
Intermediate Tree Nodes	Not available
Direct Parent	Aryl chlorides
Alternative Parents	Benzene and substituted derivatives Isoxazoles Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Aryl chloride - Monocyclic benzene moiety - Benzenoid - Azole - Isoxazole - Heteroaromatic compound - Organoheterocyclic compound - Azacycle - Oxacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as aryl chlorides. These are organic compounds containing the acyl chloride functional 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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	5-chloro-3-phenyl-1,2-oxazole
INCHI	InChI=1S/C9H6ClNO/c10-9-6-8(11-12-9)7-4-2-1-3-5-7/h1-6H
InChIKey	KWVZAEKGUQQYMK-UHFFFAOYSA-N
Smiles	C1=CC=C(C=C1)C2=NOC(=C2)Cl
Isomeric SMILES	C1=CC=C(C=C1)C2=NOC(=C2)Cl
Molecular Weight	179.6
Reaxy-Rn	511021
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=511021&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	179.600 g/mol
XLogP3	3.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	179.014 Da
Monoisotopic Mass	179.014 Da
Topological Polar Surface Area	26.000 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	147.000
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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