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· · COA & SDS Disponível para todos os produtos · Envio no mesmo dia em itens em estoque 3,4-Dichlorobenzyl isothiocyanate - ≥97% , CAS No.18967-42-5
Disponível para encomenda
Synonyms
3,4-Dichlorobenzyl isothiocyanate|18967-42-5|1,2-Dichloro-4-(isothiocyanatomethyl)benzene|Benzene, 1,2-dichloro-4-(isothiocyanatomethyl)-|ISOTHIOCYANIC ACID, (3,4-DICHLOROBENZYL) ESTER|3,4-DICHLOROBENZylisoTHIOCYANATE|KF6B7CSR5N|MFCD00041113|NSC-221245|3,
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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
3,4-Dichlorobenzyl isothiocyanate | 18967-42-5 | 1,2-Dichloro-4-(isothiocyanatomethyl)benzene | Benzene, 1,2-dichloro-4-(isothiocyanatomethyl)- | ISOTHIOCYANIC ACID, (3,4-DICHLOROBENZYL) ESTER | 3,4-DICHLOROBENZylisoTHIOCYANATE | KF6B7CSR5N | MFCD00041113 | NSC-221245 | 3,
Especificações e pureza
≥97%
Condições de armazenamento de armazenamento
Room temperature
Nomes e identificadores Sorrisos canónicos C1=CC(=C(C=C1CN=C=S)Cl)Cl IUPAC Name 1,2-dichloro-4-(isothiocyanatomethyl)benzene InChIKey DPSSHXWTNIGVMQ-UHFFFAOYSA-N INCHI 1S/C8H5Cl2NS/c9-7-2-1-6(3-8(7)10)4-11-5-12/h1-3H,4H2 SMILES isoméricas C1=CC(=C(C=C1CN=C=S)Cl)Cl Peso molecular 218.11 Reaxy-Rn 2937608 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2937608&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 Classe Benzene and substituted derivatives Subclass Halobenzenes Intermediate Tree Nodes Chlorobenzenes Direct Parent Dichlorobenzenes Alternative Parents Aryl chlorides Isothiocyanates Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents 1,2-dichlorobenzene - Aryl halide - Aryl chloride - Isothiocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound Descrição This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it. 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.
Estrutura 3D Certificados（CoA,COO,BSE/TSE e Mapa de Análise) Propriedades químicas e físicas Ponto de ebulição (°C) 130°/1mm Peso molecular 218.100 g/mol XLogP3 4.900 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 2 Exact Mass 216.952 Da Monoisotopic Mass 216.952 Da Topological Polar Surface Area 44.500 Ų Heavy Atom Count 12 Formal Charge 0 Complexity 191.000 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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