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Ethyl 3,5-dimethylisoxazole-4-carboxylate, 97% - ≥97%, high purity , CAS No.17147-42-1

COA

Grade & Purity:

≥97%

Cas Number: 17147-42-1
Molecular Weight: 169.18
MDL number: MFCD00052557
PubChem CID: 736348

In stock

Item Number

E138363

Grouped product items
SKU	Size	Availability	Price
E138363-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$32.90
E138363-2.5g	2.5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$72.90
E138363-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$261.90

View related series

Five-Membered Heterocyclic Compounds (2064) Oxazoles (110)

Basic Description

Synonyms	8K-591S \| HMS1732J05 \| 4-carboethoxy-3,5-dimethylisoxazole \| 4-carboethoxy-3,5-dimethyl-isoxazole \| EN300-16191 \| AKOS001079490 \| J-520831 \| BB 0258843 \| BBL039653 \| Ethyl 3,5-Dimethyl-isoxazole-4-carboxylate \| ethyl 3,5-dimethylisoxazole-4-carboxylate \|
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azoles
    - Subclass Isoxazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Isoxazoles
Intermediate Tree Nodes	Not available
Direct Parent	Isoxazoles
Alternative Parents	Heteroaromatic compounds Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Heteroaromatic compound - Isoxazole - Carboxylic acid ester - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as isoxazoles. These are heterocyclic organic compounds containing an isoxazole moiety, with a structure characterized by a five-member aromatic ring with one oxygen atom and one nitrogen atom at ring positions 1 and 2, respectively.
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 3,5-dimethyl-1,2-oxazole-4-carboxylate
INCHI	InChI=1S/C8H11NO3/c1-4-11-8(10)7-5(2)9-12-6(7)3/h4H2,1-3H3
InChIKey	OQRHVDXUJAQVNT-UHFFFAOYSA-N
Smiles	CCOC(=O)C1=C(ON=C1C)C
Isomeric SMILES	CCOC(=O)C1=C(ON=C1C)C
Molecular Weight	169.18
Reaxy-Rn	123720
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=123720&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Refractive Index	1.46
Flash Point(°C)	97 °C
Boil Point(°C)	220 °C
Molecular Weight	169.180 g/mol
XLogP3	1.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	169.074 Da
Monoisotopic Mass	169.074 Da
Topological Polar Surface Area	52.300 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	172.000
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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