Skip to the beginning of the images gallery

[3-(4-chlorophenyl)-5-isoxazolyl]methanol - 95%, high purity , CAS No.206055-90-5

COA

Grade & Purity:

≥95%

Cas Number: 206055-90-5
Molecular Weight: 209.63
MDL number: MFCD01935957
PubChem CID: 2763309
PubChem SID: 504761739

In stock

Item Number

C480688

Grouped product items
SKU	Size	Availability	Price
C480688-100mg	100mg	3	$223.90
C480688-250mg	250mg	3	$502.90
C480688-1g	1g	4	$1,806.90

Basic Description

Synonyms	[3-(4-chlorophenyl)-5-isoxazolyl]methanol \| (3-(4-Chlorophenyl)isoxazol-5-yl)methanol, AldrichCPR \| [3-(4-Chloro-phenyl)-isoxazol-5-yl]-methanol \| [3-(4-chlorophenyl)isoxazol-5-yl]methanol \| DTXSID50376888 \| [3-(4-chlorophenyl)-1,2-oxazol-5-yl]methanol \|
Specifications & Purity	≥95%

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Halobenzenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Halobenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Chlorobenzenes
Alternative Parents	Aryl chlorides Isoxazoles Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Chlorobenzene - Aryl chloride - Aryl halide - Azole - Heteroaromatic compound - Isoxazole - Oxacycle - Organoheterocyclic compound - Azacycle - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Alcohol - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Aromatic alcohol - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
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

Pubchem Sid	504761739
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504761739
IUPAC Name	[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methanol
INCHI	InChI=1S/C10H8ClNO2/c11-8-3-1-7(2-4-8)10-5-9(6-13)14-12-10/h1-5,13H,6H2
InChIKey	YJIXYDFXXAWEMH-UHFFFAOYSA-N
Smiles	C1=CC(=CC=C1C2=NOC(=C2)CO)Cl
Isomeric SMILES	C1=CC(=CC=C1C2=NOC(=C2)CO)Cl
Molecular Weight	209.63
Reaxy-Rn	8054766
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8054766&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

6 results found

Lot Number	Certificate Type	Date	Item
F23281150	Certificate of Analysis	Jun 05, 2023	C480688
F23281149	Certificate of Analysis	Jun 05, 2023	C480688
F23281154	Certificate of Analysis	Jun 05, 2023	C480688
F23281151	Certificate of Analysis	Jun 05, 2023	C480688
F23281148	Certificate of Analysis	Jun 05, 2023	C480688
F23281155	Certificate of Analysis	Jun 05, 2023	C480688

Chemical and Physical Properties

Melt Point(°C)	98-100°
Molecular Weight	209.630 g/mol
XLogP3	1.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	209.024 Da
Monoisotopic Mass	209.024 Da
Topological Polar Surface Area	46.300 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	183.000
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