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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 4-Fluoro-2-methyl-5-nitrobenzoic acid - ≥98% , CAS No.64695-92-7
Synonyms
SCHEMBL2240615 | 4-FLUORO-2-METHYL-5-NITROBENZOICACID | MFCD11847453 | 2-methyl-5-nitro-4-fluorobenzoic acid | SCHEMBL15114333 | 2-Carboxy-5-fluoro-4-nitrotoluene, 5-Carboxy-2-fluoro-4-methylnitrobenzene | 4-FLUORO-2-METHYL-5-NITROBENZOIC ACID | 4-fluoro-
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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.
Specifications Sinónimos
SCHEMBL2240615 | 4-FLUORO-2-METHYL-5-NITROBENZOICACID | MFCD11847453 | 2-methyl-5-nitro-4-fluorobenzoic acid | SCHEMBL15114333 | 2-Carboxy-5-fluoro-4-nitrotoluene, 5-Carboxy-2-fluoro-4-methylnitrobenzene | 4-FLUORO-2-METHYL-5-NITROBENZOIC ACID | 4-fluoro-
Especificaciones y pureza
≥98%
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Sonrisas canónicas CC1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])F IUPAC Name 4-fluoro-2-methyl-5-nitrobenzoic acid InChIKey IBZJPGGBZMXXCE-UHFFFAOYSA-N INCHI 1S/C8H6FNO4/c1-4-2-6(9)7(10(13)14)3-5(4)8(11)12/h2-3H,1H3,(H,11,12) Isómeros SMILES CC1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])F Peso molecular 199.1 Reaxy-Rn 1970959 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1970959&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 Benzenoids Clase Benzene and substituted derivatives Subclass Benzoic acids and derivatives Intermediate Tree Nodes Not available Direct Parent Nitrobenzoic acids and derivatives Alternative Parents 4-halobenzoic acids Halobenzoic acids Benzoic acids Nitrobenzenes Nitrotoluenes Benzoyl derivatives Nitroaromatic compounds Fluorobenzenes Aryl fluorides Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Organic oxoazanium compounds Organonitrogen compounds Organic salts Organooxygen compounds Organofluorides Hydrocarbon derivatives Organic oxides Organic cations Molecular Framework Aromatic homomonocyclic compounds Substituents Nitrobenzoate - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 4-halobenzoic acid - Halobenzoic acid - Benzoic acid - Nitrobenzene - Nitrotoluene - Nitroaromatic compound - Benzoyl - Fluorobenzene - Halobenzene - Toluene - Aryl halide - Aryl fluoride - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carboxylic acid - Organic oxoazanium - Organic salt - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organic cation - Aromatic homomonocyclic compound Descripción This compound belongs to the class of organic compounds known as nitrobenzoic acids and derivatives. These are compounds containing a nitrobenzoic acid moiety, which consists of a benzene ring bearing both a carboxylic acid group and a nitro group on two different ring carbon atoms. 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.
Estructura 3D Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Peso molecular 199.140 g/mol XLogP3 1.700 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 1 Exact Mass 199.028 Da Monoisotopic Mass 199.028 Da Topological Polar Surface Area 83.100 Ų Heavy Atom Count 14 Formal Charge 0 Complexity 252.000 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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