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· · COA & SDS available for every product · Same-day shipping on in-stock items 5-Nitro-2-furancarboxylic Acid - ≥98% , CAS No.645-12-5
Synonyms
5-Nitro-2-furancarboxylic Acid | 5-nitro-2-furan-carboxylic acid | 5-Nitro-furan-2-carboxylic acid | 5-Nitrofuran-2-carboxylic acid | NSC6452 | NSC-6452 | SCHEMBL1221377 | EINECS 211-432-6 | N0557 | Nitrofurate | STL164369 | F16228 | 2-Furoic acid, 5-nitr
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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.
Overview Usually used in the preparation of [1,2,4]triazolo[3,4-b][1,3,4]thiadiazines and [1,2,4]triazolo[3,4-b][1,3,4] thiadiazoles.
Specifications Synonyms
5-Nitro-2-furancarboxylic Acid | 5-nitro-2-furan-carboxylic acid | 5-Nitro-furan-2-carboxylic acid | 5-Nitrofuran-2-carboxylic acid | NSC6452 | NSC-6452 | SCHEMBL1221377 | EINECS 211-432-6 | N0557 | Nitrofurate | STL164369 | F16228 | 2-Furoic acid, 5-nitr
Specifications & Purity
≥98%
Names and Identifiers Pubchem Sid 504752368 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504752368 Canonical Smiles C1=C(OC(=C1)[N+](=O)[O-])C(=O)O IUPAC Name 5-nitrofuran-2-carboxylic acid InChIKey IODMEDPPCXSFLD-UHFFFAOYSA-N INCHI 1S/C5H3NO5/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2H,(H,7,8) Isomeric SMILES C1=C(OC(=C1)[N+](=O)[O-])C(=O)O WGK Germany 3 RTECS LV2012000 Molecular Weight 157.08 Beilstein 139373 Reaxy-Rn 139373 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=139373&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.
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 Furans Subclass Nitrofurans Intermediate Tree Nodes Not available Direct Parent Nitrofurans Alternative Parents Nitroaromatic compounds Furoic acids Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents Furoic acid - Furoic acid or derivatives - Nitroaromatic compound - 2-nitrofuran - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Oxacycle - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as nitrofurans. These are compounds containing a furan ring which bears a nitro group. 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 Solubility Slightly soluble in water. Melt Point(°C) 186 °C Molecular Weight 157.080 g/mol XLogP3 1.000 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 1 Exact Mass 157.001 Da Monoisotopic Mass 157.001 Da Topological Polar Surface Area 96.300 Ų Heavy Atom Count 11 Formal Charge 0 Complexity 186.000 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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