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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 4-Iodophenyl isothiocyanate - ≥97% , CAS No.2059-76-9
Synonyms
4-Iodophenyl isothiocyanate|2059-76-9|1-Iodo-4-isothiocyanatobenzene|4-Iodophenylisothiocyanate|BENZENE, 1-IODO-4-ISOTHIOCYANATO-|WDF6UL9NHM|1-iodo-4-isothiocyanato-benzene|MFCD00041091|NSC-129262|4-Ipitc|NSC 129262|UNII-WDF6UL9NHM|p-iodophenyl-isothiocya
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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 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
4-Iodophenyl isothiocyanate | 2059-76-9 | 1-Iodo-4-isothiocyanatobenzene | 4-Iodophenylisothiocyanate | BENZENE, 1-IODO-4-ISOTHIOCYANATO- | WDF6UL9NHM | 1-iodo-4-isothiocyanato-benzene | MFCD00041091 | NSC-129262 | 4-Ipitc | NSC 129262 | UNII-WDF6UL9NHM | p-iodophenyl-isothiocya
Especificaciones y pureza
≥97%
Condiciones de almacenamiento de almacenamiento
Store at 2-8°C
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=C1N=C=S)I
IUPAC Name
1-iodo-4-isothiocyanatobenzene
InChIKey
SNLGBRZZFRSXHA-UHFFFAOYSA-N
INCHI
1S/C7H4INS/c8-6-1-3-7(4-2-6)9-5-10/h1-4H
Isómeros SMILES
C1=CC(=CC=C1N=C=S)I
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2412143&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 Iodobenzenes Alternative Parents Aryl iodides Isothiocyanates Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organonitrogen compounds Organoiodides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Iodobenzene - Aryl iodide - Aryl halide - Isothiocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organoiodide - Organohalogen compound - Aromatic homomonocyclic compound Descripción This compound belongs to the class of organic compounds known as iodobenzenes. These are aromatic compounds containing one or more iodine atoms attached to a 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 Sensibilidad Moisture & Light Sensitive Punto de fusión (°C) 74-78℃ Peso molecular 261.079 g/mol XLogP3 4.200 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 1 Exact Mass 260.911 Da Monoisotopic Mass 260.911 Da Topological Polar Surface Area 44.500 Ų Heavy Atom Count 10 Formal Charge 0 Complexity 146.000 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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