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· · COA & SDS Disponível para todos os produtos · Envio no mesmo dia em itens em estoque 3,4-Dichlorophenyl Isothiocyanate - ≥98%(GC) , CAS No.6590-94-9
Disponível para encomenda
Synonyms
BRN 0511101 | 3,4-Dichloro-1-isothiocyanatobenzene | 3,4-Dichloro-1-isothiocyanato-benzene | Benzene, 1,2-dichloro-4-isothiocyanato- | MFCD00037828 | FT-0728406 | NSC220236 | NSC-220236 | AKOS000279631 | D4926 | H10811 | 4-12-00-01271 (Beilstein Handbook
Storage
Store at 2-8°C,Argon charged
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Why this grade ≥98%(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at 2-8°C,Argon charged Ships Wet ice 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
BRN 0511101 | 3,4-Dichloro-1-isothiocyanatobenzene | 3,4-Dichloro-1-isothiocyanato-benzene | Benzene, 1,2-dichloro-4-isothiocyanato- | MFCD00037828 | FT-0728406 | NSC220236 | NSC-220236 | AKOS000279631 | D4926 | H10811 | 4-12-00-01271 (Beilstein Handbook
Especificações e pureza
≥98%(GC)
Condições de armazenamento de armazenamento
Store at 2-8°C,Argon charged
Enviado em
Wet ice
Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.
Nomes e identificadores Pubchem Sid 508808646 Sorrisos canónicos C1=CC(=C(C=C1N=C=S)Cl)Cl IUPAC Name 1,2-dichloro-4-isothiocyanatobenzene InChIKey OSBIEFWIIINTNJ-UHFFFAOYSA-N INCHI 1S/C7H3Cl2NS/c8-6-2-1-5(10-4-11)3-7(6)9/h1-3H SMILES isoméricas C1=CC(=C(C=C1N=C=S)Cl)Cl WGK Alemanha 3 RTECS NX8490000 Peso molecular 204.07 Beilstein 511101 Reaxy-Rn 511101 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=511101&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 Sensibilidade heat & moisture Sensitive Índice de refração 1.68 Ponto de inflamação (°F) >230°F Ponto de inflamação (°C) >110℃ Ponto de ebulição (°C) 148°C/10mmHg Peso molecular 204.080 g/mol XLogP3 4.800 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 1 Exact Mass 202.936 Da Monoisotopic Mass 202.936 Da Topological Polar Surface Area 44.500 Ų Heavy Atom Count 11 Formal Charge 0 Complexity 179.000 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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