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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 2,4,6-Trimethylphenyl isothiocyanate - ≥96% , CAS No.6095-82-5
Synonyms
T3324 | FT-0609907 | mesityl isothiocyanate | Isothiocyanic Acid Mesityl Ester | MFCD00022055 | AKOS003353806 | 2-Isothiocyanato-1,3,5-trimethylbenzene | 2-isothiocyanato-1,3,5-trimethyl-benzene | 2-Isothiocyanato-1,3,5-trimethylbenzene # | 2,4,6-Trimethy
Storage
Argon charged,Room temperature
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Why this grade ≥96% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Argon charged,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
T3324 | FT-0609907 | mesityl isothiocyanate | Isothiocyanic Acid Mesityl Ester | MFCD00022055 | AKOS003353806 | 2-Isothiocyanato-1, 3, 5-trimethylbenzene | 2-isothiocyanato-1, 3, 5-trimethyl-benzene | 2-Isothiocyanato-1, 3, 5-trimethylbenzene # | 2, 4, 6-Trimethy
Especificaciones y pureza
≥96%
Condiciones de almacenamiento de almacenamiento
Argon charged, Room temperature
Nombres e identificadores Pubchem Sid 504757169 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504757169 Sonrisas canónicas CC1=CC(=C(C(=C1)C)N=C=S)C IUPAC Name 2-isothiocyanato-1,3,5-trimethylbenzene InChIKey KKYMYPLVBCVDPL-UHFFFAOYSA-N INCHI 1S/C10H11NS/c1-7-4-8(2)10(11-6-12)9(3)5-7/h4-5H,1-3H3 Isómeros SMILES CC1=CC(=C(C(=C1)C)N=C=S)C PubChem CID 138659 Peso molecular 177.27 Beilstein 2690815 Reaxy-Rn 2690815
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 Not available Intermediate Tree Nodes Not available Direct Parent Benzene and substituted derivatives Alternative Parents Isothiocyanates Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Monocyclic benzene moiety - Isothiocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic homomonocyclic compound Descripción This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. 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 Solubilidad Soluble in Toluene Sensibilidad Moisture Sensitive Punto de ebullición (°C) 144-145℃/10mmHg Punto de fusión (°C) 60-63℃ Peso molecular 177.270 g/mol XLogP3 4.400 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 1 Exact Mass 177.061 Da Monoisotopic Mass 177.061 Da Topological Polar Surface Area 44.500 Ų Heavy Atom Count 12 Formal Charge 0 Complexity 184.000 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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