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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 6-Bromo-1,3-benzodioxole-5-carbonitrile - ≥97% , CAS No.6120-26-9
Synonyms
MFCD02571372 | A868785 | 6-Bromo-1,3-benzodioxole-5-carbonitrile, 97% | AKOS005071361 | DTXSID20377428 | MB02421 | 6-bromo-2H-1,3-benzodioxole-5-carbonitrile | YJAZLOORQHTWFN-UHFFFAOYSA-N | 8R-0201 | FT-0680658 | J-518420 | 6-BROMOBENZO[D][1,3]DIOXOLE-5-C
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Why this grade ≥97% 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
MFCD02571372 | A868785 | 6-Bromo-1, 3-benzodioxole-5-carbonitrile, 97% | AKOS005071361 | DTXSID20377428 | MB02421 | 6-bromo-2H-1, 3-benzodioxole-5-carbonitrile | YJAZLOORQHTWFN-UHFFFAOYSA-N | 8R-0201 | FT-0680658 | J-518420 | 6-BROMOBENZO[D][1, 3]DIOXOLE-5-C
Especificaciones y pureza
≥97%
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Pubchem Sid 488193394 Sonrisas canónicas C1OC2=C(O1)C=C(C(=C2)C#N)Br IUPAC Name 6-bromo-1,3-benzodioxole-5-carbonitrile InChIKey YJAZLOORQHTWFN-UHFFFAOYSA-N INCHI 1S/C8H4BrNO2/c9-6-2-8-7(11-4-12-8)1-5(6)3-10/h1-2H,4H2 Isómeros SMILES C1OC2=C(O1)C=C(C(=C2)C#N)Br WGK Alemania 3 Peso molecular 226.03 Reaxy-Rn 162018 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=162018&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 Clase Benzodioxoles Subclass Not available Intermediate Tree Nodes Not available Direct Parent Benzodioxoles Alternative Parents Benzenoids Aryl bromides Oxacyclic compounds Nitriles Acetals Organopnictogen compounds Organobromides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Benzodioxole - Aryl bromide - Aryl halide - Benzenoid - Acetal - Carbonitrile - Nitrile - Oxacycle - Organobromide - Organohalogen compound - Organic nitrogen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound Descripción This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three 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 Punto de fusión (°C) 103 - 108 °C Peso molecular 226.030 g/mol XLogP3 2.100 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 0 Exact Mass 224.943 Da Monoisotopic Mass 224.943 Da Topological Polar Surface Area 42.300 Ų Heavy Atom Count 12 Formal Charge 0 Complexity 224.000 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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