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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 2-(4-Chlorophenethyl)isothiocyanate - ≥97% , CAS No.17608-10-5
Synonyms
MFCD00041127 | 2-(4-Chlorophenethyl)isothiocyanate, 97% | 2-(4-Chlorophenyl)ethyl isothiocyanate | PD139347 | 2-(4-Chlorophenethyl) isothicyanate | Benzene,1-chloro-4-(2-isothiocyanatoethyl)- | 2-(4-Chlorophenethyl) isothiocyanate | 1-Chloro-4-(2-isothioc
Storage
Store at 2-8°C,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 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
MFCD00041127 | 2-(4-Chlorophenethyl)isothiocyanate, 97% | 2-(4-Chlorophenyl)ethyl isothiocyanate | PD139347 | 2-(4-Chlorophenethyl) isothicyanate | Benzene, 1-chloro-4-(2-isothiocyanatoethyl)- | 2-(4-Chlorophenethyl) isothiocyanate | 1-Chloro-4-(2-isothioc
Especificaciones y pureza
≥97%
Condiciones de almacenamiento de almacenamiento
Store at 2-8°C, Argon charged
Enviado en
Wet ice
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Nombres e identificadores Sonrisas canónicas C1=CC(=CC=C1CCN=C=S)Cl IUPAC Name 1-chloro-4-(2-isothiocyanatoethyl)benzene InChIKey MRJJYUJULSZFDV-UHFFFAOYSA-N INCHI 1S/C9H8ClNS/c10-9-3-1-8(2-4-9)5-6-11-7-12/h1-4H,5-6H2 Isómeros SMILES C1=CC(=CC=C1CCN=C=S)Cl WGK Alemania 3 Peso molecular 197.68 Reaxy-Rn 2719060 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2719060&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 Halobenzenes Intermediate Tree Nodes Not available Direct Parent Chlorobenzenes 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 Chlorobenzene - 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 Descripción This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety. 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 Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Sensibilidad Moisture sensitive Índice de refracción n20/D 1.6000 Punto de inflamación (°F) >230 °F Punto de inflamación (°C) >110 °C Peso molecular 197.690 g/mol XLogP3 4.100 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 3 Exact Mass 197.007 Da Monoisotopic Mass 197.007 Da Topological Polar Surface Area 44.500 Ų Heavy Atom Count 12 Formal Charge 0 Complexity 169.000 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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