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3-(4-Fluorophenyl)-5-Methyl-4-isoxazolecarbonyl chloride - 95%, high purity , CAS No.465514-05-0

COA

Grade & Purity:

≥95%

Cas Number: 465514-05-0
Molecular Weight: 239.63
MDL number: MFCD03407358
PubChem CID: 2780711

In stock

Item Number

B300272

Grouped product items
SKU	Size	Availability	Price	Qty
B300272-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$117.90
B300272-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$390.90

Basic Description

Synonyms	465514-05-0 \| 3-(4-FLUOROPHENYL)-5-METHYL-4-ISOXAZOLECARBONYL CHLORIDE \| 3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride \| 3-(4-Fluorophenyl)-5-methylisoxazole-4-carbonyl chloride \| SCHEMBL3068021 \| DTXSID00381700 \| QRMOQEHQPOIZGC-UHFFFAOYSA-N \| 3-(4-fluoro
Specifications & Purity	≥95%
Shipped In	Normal

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	Fluorobenzenes
Alternative Parents	Aryl fluorides Isoxazoles Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Acyl chlorides Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Fluorobenzene - Aryl fluoride - Aryl halide - Azole - Isoxazole - Heteroaromatic compound - Oxacycle - Azacycle - Organoheterocyclic compound - Acyl halide - Acyl chloride - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.
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-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride
INCHI	InChI=1S/C11H7ClFNO2/c1-6-9(11(12)15)10(14-16-6)7-2-4-8(13)5-3-7/h2-5H,1H3
InChIKey	QRMOQEHQPOIZGC-UHFFFAOYSA-N
Smiles	CC1=C(C(=NO1)C2=CC=C(C=C2)F)C(=O)Cl
Isomeric SMILES	CC1=C(C(=NO1)C2=CC=C(C=C2)F)C(=O)Cl
Molecular Weight	239.63
Reaxy-Rn	7132357
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7132357&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Melt Point(°C)	51-52
Molecular Weight	239.630 g/mol
XLogP3	3.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	239.015 Da
Monoisotopic Mass	239.015 Da
Topological Polar Surface Area	43.100 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	269.000
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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