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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 3,5-Dimethylphenyl isothiocyanate - ≥97% , CAS No.40046-30-8
Synonyms
FT-0614699 | D4944 | 3,5-dimethylphenylisothiocyanate | AKOS001027769 | MFCD00041082 | H11297 | 1-Isothiocyanato-3,5-dimethylbenzene # | DTXSID30193111 | 3,5-Xylyl isothiocyanate | EN300-01238 | Isothiocyanic Acid 3,5-Dimethylphenyl Ester | FT-0614692 | 3
Storage
Argon charged,Room temperature
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Why this grade ≥97% 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
FT-0614699 | D4944 | 3, 5-dimethylphenylisothiocyanate | AKOS001027769 | MFCD00041082 | H11297 | 1-Isothiocyanato-3, 5-dimethylbenzene # | DTXSID30193111 | 3, 5-Xylyl isothiocyanate | EN300-01238 | Isothiocyanic Acid 3, 5-Dimethylphenyl Ester | FT-0614692 | 3
Especificaciones y pureza
≥97%
Condiciones de almacenamiento de almacenamiento
Argon charged, Room temperature
Nombres e identificadores Sonrisas canónicas CC1=CC(=CC(=C1)N=C=S)C IUPAC Name 1-isothiocyanato-3,5-dimethylbenzene InChIKey DSMXCADWIFIJEX-UHFFFAOYSA-N INCHI 1S/C9H9NS/c1-7-3-8(2)5-9(4-7)10-6-11/h3-5H,1-2H3 Isómeros SMILES CC1=CC(=CC(=C1)N=C=S)C Peso molecular 163.24 Beilstein 6856812 Reaxy-Rn 6856812 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6856812&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 Xylenes Intermediate Tree Nodes Not available Direct Parent m-Xylenes Alternative Parents Isothiocyanates Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents M-xylene - 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 m-xylenes. These are aromatic compounds that contain a m-xylene moiety, which is a monocyclic benzene carrying exactly two methyl groups at the 1- and 3-positions. 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 Sensibilidad Moisture Sensitive Índice de refracción 1.619 Punto de inflamación (°C) 127 °C Punto de ebullición (°C) 140 °C/15 mmHg Peso molecular 163.240 g/mol XLogP3 4.100 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 1 Exact Mass 163.046 Da Monoisotopic Mass 163.046 Da Topological Polar Surface Area 44.500 Ų Heavy Atom Count 11 Formal Charge 0 Complexity 162.000 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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