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· · COA & SDS Disponibile per ogni prodotto · Spedizione lo stesso giorno su articoli in magazzino Benzoic acid-(phenyl-¹³C₆) - ≥99 atom% 13C , CAS No.125945-98-4
Synonyms
(1,2,3,4,5,6-13C6)cyclohexatrienecarboxylic acid | MS-22770 | starbld0016546 | Benzoic Acid-13C6 | Benzoic acid-ring-13C6 | Benzoic acid-(phenyl-13C6), 99 atom % 13C | DTXSID60514714 | HY-N0216S1 | J-005305 | (~13~C_6_)Benzoic acid | Benzoicacid-ring-ul-1
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Why this grade ≥99 atom% 13C for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships 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 Sinonimi
(1,2,3,4,5,6-13C6)cyclohexatrienecarboxylic acid | MS-22770 | starbld0016546 | Benzoic Acid-13C6 | Benzoic acid-ring-13C6 | Benzoic acid-(phenyl-13C6), 99 atom % 13C | DTXSID60514714 | HY-N0216S1 | J-005305 | (~13~C_6_)Benzoic acid | Benzoicacid-ring-ul-1
Specifiche e purezza
≥99 atom% 13C
Condizioni di conservazione di stoccaggio
Room temperature
Nomi e identificatori Sorrisi canonici C1=CC=C(C=C1)C(=O)O IUPAC Name (1,2,3,4,5,6-13C6)cyclohexatrienecarboxylic acid InChIKey WPYMKLBDIGXBTP-IDEBNGHGSA-N INCHI 1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/i1+1,2+1,3+1,4+1,5+1,6+1 Isomeri SMILES [13CH]1=[13CH][13CH]=[13C]([13CH]=[13CH]1)C(=O)O WGK Germania 3 Peso molecolare 128.08 Reaxy-Rn 636131 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=636131&ln=
Documentazione 📋 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 Classe Benzene and substituted derivatives Subclass Benzoic acids and derivatives Intermediate Tree Nodes Not available Direct Parent Benzoic acids Alternative Parents Benzoyl derivatives Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Benzoic acid - Benzoyl - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound Descrizione This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl 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.
Struttura 3D Certificati (CoA, COO, BSE/TSE e tabella di analisi) Proprietà chimiche e fisiche Peso molecolare 128.077 g/mol XLogP3 1.900 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 1 Exact Mass 128.057 Da Monoisotopic Mass 128.057 Da Topological Polar Surface Area 37.300 Ų Heavy Atom Count 9 Formal Charge 0 Complexity 103.000 Isotope Atom Count 6 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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