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· · COA & SDS available for every product · Same-day shipping on in-stock items Pyrimidine-5-carboxylic acid - ≥98% , CAS No.4595-61-3
Synonyms
EINECS 224-994-2 | 4-Isothiocyanato-1-butene | pyrimidine-5-carboxylicacid | SY004100 | A18797 | BDBM50216520 | AKOS000280257 | CL1919 | MFCD00042761 | W-106107 | IIVUJUOJERNGQX-UHFFFAOYSA-N | SCHEMBL106575 | Methyl alpha-D-galactoside | Z336079948 | 5-py
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at 2-8°C Ships Wet ice 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.
Specifications Synonyms
EINECS 224-994-2 | 4-Isothiocyanato-1-butene | pyrimidine-5-carboxylicacid | SY004100 | A18797 | BDBM50216520 | AKOS000280257 | CL1919 | MFCD00042761 | W-106107 | IIVUJUOJERNGQX-UHFFFAOYSA-N | SCHEMBL106575 | Methyl alpha-D-galactoside | Z336079948 | 5-py
Specifications & Purity
≥98%
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Product Properties pKa pKa: 2.74 (Predicted), pKa: 1.16 (Predicted)
Names and Identifiers Pubchem Sid 504755274 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504755274 Canonical Smiles C1=C(C=NC=N1)C(=O)O IUPAC Name pyrimidine-5-carboxylic acid InChIKey IIVUJUOJERNGQX-UHFFFAOYSA-N INCHI 1S/C5H4N2O2/c8-5(9)4-1-6-3-7-2-4/h1-3H,(H,8,9) Isomeric SMILES C1=C(C=NC=N1)C(=O)O WGK Germany 3 PubChem CID 78346 Molecular Weight 124.1
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.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Class Diazines Subclass Pyrimidines and pyrimidine derivatives Intermediate Tree Nodes Pyrimidinecarboxylic acids and derivatives Direct Parent Pyrimidinecarboxylic acids Alternative Parents Heteroaromatic 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 Pyrimidine-5-carboxylic acid - Heteroaromatic compound - 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 pyrimidinecarboxylic acids. These are pyrimidines with a structure containing a carboxyl group attached to the pyrimidine ring. External Descriptors Not available Data sources 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.
3D Structure Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Refractive Index n20D1.58 (Predicted) Boil Point(°C) ~318.7° C at 760 mmHg (Predicted) Melt Point(°C) 259-261° C Molecular Weight 124.100 g/mol XLogP3 -0.300 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 1 Exact Mass 124.027 Da Monoisotopic Mass 124.027 Da Topological Polar Surface Area 63.100 Ų Heavy Atom Count 9 Formal Charge 0 Complexity 110.000 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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