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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 3-Hydroxy-5-methylbenzonitrile - ≥97% , CAS No.95658-81-4
Synonyms
3-Hydroxy-5-methylbenzonitrile | 3-Hydroxy-5-methyl-benzonitrile | MFCD16999137 | FT-0687036 | DS-2087 | SCHEMBL509567 | TS-01717 | Benzonitrile, 3-hydroxy-5-methyl- | MB25636 | OATUMQZBLZQKBX-UHFFFAOYSA-N | EN300-188983 | DTXSID60620622 | A858961 | AKOS0
Storage
Room temperature,Argon charged
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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,Argon charged 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
3-Hydroxy-5-methylbenzonitrile | 3-Hydroxy-5-methyl-benzonitrile | MFCD16999137 | FT-0687036 | DS-2087 | SCHEMBL509567 | TS-01717 | Benzonitrile, 3-hydroxy-5-methyl- | MB25636 | OATUMQZBLZQKBX-UHFFFAOYSA-N | EN300-188983 | DTXSID60620622 | A858961 | AKOS0
Especificaciones y pureza
≥97%
Condiciones de almacenamiento de almacenamiento
Room temperature,Argon charged
Nombres e identificadores Sonrisas canónicas
CC1=CC(=CC(=C1)O)C#N
IUPAC Name
3-hydroxy-5-methylbenzonitrile
InChIKey
OATUMQZBLZQKBX-UHFFFAOYSA-N
INCHI
1S/C8H7NO/c1-6-2-7(5-9)4-8(10)3-6/h2-4,10H,1H3
Isómeros SMILES
CC1=CC(=CC(=C1)O)C#N
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3235431&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 Phenols Subclass Cresols Intermediate Tree Nodes Not available Direct Parent Meta cresols Alternative Parents Benzonitriles Toluenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Nitriles Organooxygen compounds Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents M-cresol - Benzonitrile - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Toluene - Monocyclic benzene moiety - Nitrile - Carbonitrile - Organic nitrogen compound - Organic oxygen compound - Cyanide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound Descripción This compound belongs to the class of organic compounds known as meta cresols. These are aromatic compounds containing a meta-cresol moiety, which consists of a benzene ring bearing a methyl group and a hydroxyl group at ring positions 1 and 3, respectively. 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 133.150 g/mol XLogP3 1.600 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 0 Exact Mass 133.053 Da Monoisotopic Mass 133.053 Da Topological Polar Surface Area 44.000 Ų Heavy Atom Count 10 Formal Charge 0 Complexity 158.000 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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