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5-Methylisoxazole-3-carboxylic acid - ≥98.0 %, high purity , CAS No.3405-77-4

COA

Grade & Purity:

≥98%

Cas Number: 3405-77-4
Molecular Weight: 127.1
EC Number: 222-289-4
MDL number: MFCD01318162
PubChem CID: 76947
PubChem SID: 488185348

In stock

Item Number

M113629

Grouped product items
SKU	Size	Availability	Price
M113629-1g	1g	9	$36.90
M113629-5g	5g	3	$164.90
M113629-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$296.90
M113629-25g	25g	5	$666.90
M113629-100g	100g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$2,399.90

View related series

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

Basic Description

Synonyms	BB 0237313 \| 3-CARBOXY-5-METHYLISOXAZOLE \| STR04361 \| AKOS000263471 \| STK260850 \| EINECS 225-454-9 \| EINECS 222-289-4 \| MFCD01318162 \| J-019440 \| SY010127 \| UNII-YZP807C30G \| 1267623-84-6 \| 5-METHYLISOXASOLE-3-CARBOXYLIC ACID \| M2405 \| DTXSID10878772 \| HM
Specifications & Purity	≥98%
Shipped In	Normal
Product Description	Reactant for: . Click/aza-Michael or Click/oligomeric alkyl carbodiimide esterification reactions . Preparation of aminopyrazole amide derivatives as Raf kinase inhibitors in melanoma cells . Preparation of trifluoromethoxyphenyl(thiazolyl)pyrroles and other heterocycle-bearing polyfunctionalized pyrroles via chain heterocyclization

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 Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Heteroaromatic compound - Isoxazole - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - 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

Pubchem Sid	488185348
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488185348
IUPAC Name	5-methyl-1,2-oxazole-3-carboxylic acid
INCHI	InChI=1S/C5H5NO3/c1-3-2-4(5(7)8)6-9-3/h2H,1H3,(H,7,8)
InChIKey	BNMPIJWVMVNSRD-UHFFFAOYSA-N
Smiles	CC1=CC(=NO1)C(=O)O
Isomeric SMILES	CC1=CC(=NO1)C(=O)O
WGK Germany	3
Molecular Weight	127.1
Reaxy-Rn	114094
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=114094&ln=

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

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

Analytical Chart:

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3 results found

Lot Number	Certificate Type	Date	Item
E1709016	Certificate of Analysis	Jan 07, 2025	M113629
L2014080	Certificate of Analysis	Oct 12, 2024	M113629
D2319401	Certificate of Analysis	Dec 10, 2021	M113629

Chemical and Physical Properties

Melt Point(°C)	106-110°C
Molecular Weight	127.100 g/mol
XLogP3	0.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	127.027 Da
Monoisotopic Mass	127.027 Da
Topological Polar Surface Area	63.300 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	125.000
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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