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Ethyl 2-chlorooxazole-4-carboxylate - 97%, high purity , CAS No.460081-18-9

COA

Grade & Purity:

≥97%

Cas Number: 460081-18-9
Molecular Weight: 175.57
PubChem CID: 2763184

In stock

Item Number

E176532

Grouped product items
SKU	Size	Availability	Price
E176532-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$19.90
E176532-5g	5g	2	$63.90
E176532-25g	25g	1	$199.90

View related series

Heterocyclic block (497) Oxazoles (110)

Basic Description

Synonyms	Ethyl 2-chlorooxazole-4-carboxylate \| 460081-18-9 \| ethyl 2-chloro-1,3-oxazole-4-carboxylate \| ethyl 2-chloroxazole-4-carboxylate \| 2-chlorooxazole-4-carboxylic acid ethyl ester \| 46081-18-9 \| ethyl-2-chlorooxazole-4-carboxylate \| MFCD06660120 \| ETHYL2-CHLOROXAZOLE-4-CAR
Specifications & Purity	≥97%
Storage Temp	Store at -20°C,Argon charged
Shipped In	Ice chest + Ice pads 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 Azoles
    - Subclass Oxazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Oxazoles
Intermediate Tree Nodes	Not available
Direct Parent	2,4-disubstituted oxazoles
Alternative Parents	Aryl chlorides Heteroaromatic compounds Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	2,4-disubstituted 1,3-oxazole - Aryl chloride - Aryl halide - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Oxacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organic nitrogen compound - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as 2,4-disubstituted oxazoles. These are compounds containing an oxazole ring substituted at positions 2 and 4 only. Oxazole is a five-membered aromatic heterocycle with one oxygen, one nitrogen, and three carbon atoms. Isomers include 1,2-oxazole and 1,3-oxazole.
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	ethyl 2-chloro-1,3-oxazole-4-carboxylate
INCHI	InChI=1S/C6H6ClNO3/c1-2-10-5(9)4-3-11-6(7)8-4/h3H,2H2,1H3
InChIKey	SYWQOPRAPDMWMC-UHFFFAOYSA-N
Smiles	CCOC(=O)C1=COC(=N1)Cl
Isomeric SMILES	CCOC(=O)C1=COC(=N1)Cl
Molecular Weight	175.57
Reaxy-Rn	9189531
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9189531&ln=

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

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

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
K2426450	Certificate of Analysis	Aug 02, 2024	E176532
K2426451	Certificate of Analysis	Aug 02, 2024	E176532
K2426452	Certificate of Analysis	Aug 02, 2024	E176532
K2426453	Certificate of Analysis	Aug 02, 2024	E176532
K2426454	Certificate of Analysis	Aug 02, 2024	E176532
K2426542	Certificate of Analysis	Aug 02, 2024	E176532

Chemical and Physical Properties

Melt Point(°C)	97-98℃
Molecular Weight	175.570 g/mol
XLogP3	1.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	175.004 Da
Monoisotopic Mass	175.004 Da
Topological Polar Surface Area	52.300 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	153.000
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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