Ácido isoxazol-5-carboxílico - ≥98% , CAS No.21169-71-1

CAS: 21169-71-1 Cat. No.: I121616 Peso molecular: 113.07 Número EC: 673-088-7
Disponible para pedir
GRADE & PURITY ≥98%
Synonyms
AKOS001042457 | MIIQJAUWHSUTIT-UHFFFAOYSA-N | Z56943419 | DTXSID70366185 | isoxazole-5-carboxylic | Isoxazole-5-carboxylic acid | STL553782 | A815182 | isoxazole-5-carbonyl chloride;Isoxazole-5-carboxylic Acid | EN300-06774 | isoxazole 5-carboxylic acid |
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
1g
I121616-1g
≥10

15,90US$

23,90US$
Guardar 8,00 US$ (33.47%)
5g
I121616-5g
1

19,90US$

29,90US$
Guardar 10,00 US$ (33.44%)
10g
I121616-10g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

36,90US$

55,90US$
Guardar 19,00 US$ (33.99%)
25g
I121616-25g
1

77,90US$

116,90US$
Guardar 39,00 US$ (33.36%)
Enter a quantity for the sizes you want to add.
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Descripción general

El ácido isoxazol-5-carboxílico puede obtenerse por deshidratación del 5-triclorometilisoxazol.

Specifications

Sinónimos
AKOS001042457 | MIIQJAUWHSUTIT-UHFFFAOYSA-N | Z56943419 | DTXSID70366185 | isoxazole-5-carboxylic | Isoxazole-5-carboxylic acid | STL553782 | A815182 | isoxazole-5-carbonyl chloride;Isoxazole-5-carboxylic Acid | EN300-06774 | isoxazole 5-carboxylic acid |
Especificaciones y pureza
≥98%
Condiciones de almacenamiento de almacenamiento
Room temperature
Enviado en
Normal
Pureza
≥98%
Nombres e identificadores
Pubchem Sid488192045
Sonrisas canónicasC1=C(ON=C1)C(=O)O
IUPAC Name1,2-oxazole-5-carboxylic acid
InChIKeyMIIQJAUWHSUTIT-UHFFFAOYSA-N
INCHI1S/C4H3NO3/c6-4(7)3-1-2-5-8-3/h1-2H,(H,6,7)
Isómeros SMILES C1=C(ON=C1)C(=O)O
WGK Alemania 3
Peso molecular 113.07
Reaxy-Rn 112672
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=112672&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClaseAzoles
SubclassIsoxazoles
Intermediate Tree Nodes Not available
Direct ParentIsoxazoles
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 FrameworkAromatic 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
DescripciónThis 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
Estructura 3D
Modelo de Estructura Química Interactiva





Certificados (CoA, COO, BSE/TSE y tabla de análisis)
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.

7 results found

Lot NumberCertificate TypeFechaArticulo
B2528583Certificate of AnalysisJun 18, 2024 I121616
C2514709Certificate of AnalysisJun 17, 2024 I121616
J2418728Certificate of AnalysisJun 17, 2024 I121616
J2418729Certificate of AnalysisJun 17, 2024 I121616
E2027113Certificate of AnalysisMar 12, 2024 I121616
L2301169Certificate of AnalysisDec 12, 2023 I121616
L2219058Certificate of AnalysisJan 06, 2023 I121616
Propiedades químicas y físicas
SolubilidadSlightly soluble in water.
SensibilidadMoisture Sensitive
Punto de fusión (°C)141-144°C
Peso molecular113.070 g/mol
XLogP30.200
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass113.011 Da
Monoisotopic Mass113.011 Da
Topological Polar Surface Area63.300 Ų
Heavy Atom Count8
Formal Charge0
Complexity103.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Preguntas frecuentes y artículos
Calculadoras de soluciones
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