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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 2,4,5-Trichlorophenyl isothiocyanate - ≥97% , CAS No.23165-46-0
Synonyms
2,4,5-Trichlorophenyl isothiocyanate|23165-46-0|1,2,4-Trichloro-5-isothiocyanatobenzene|Benzene, 1,2,4-trichloro-5-isothiocyanato-|2,4,5-Trichlorophenylisothiocyanate|EINECS 245-471-5|SCHEMBL1457091|L-Phenylalanineallylestertosylate|DTXSID40177745|MFCD000
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
2, 4, 5-Trichlorophenyl isothiocyanate | 23165-46-0 | 1, 2, 4-Trichloro-5-isothiocyanatobenzene | Benzene, 1, 2, 4-trichloro-5-isothiocyanato- | 2, 4, 5-Trichlorophenylisothiocyanate | EINECS 245-471-5 | SCHEMBL1457091 | L-Phenylalanineallylestertosylate | DTXSID40177745 | MFCD000
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=C(C(=CC(=C1Cl)Cl)Cl)N=C=S IUPAC Name 1,2,4-trichloro-5-isothiocyanatobenzene InChIKey PJLRSYLEFZNICX-UHFFFAOYSA-N INCHI 1S/C7H2Cl3NS/c8-4-1-6(10)7(11-3-12)2-5(4)9/h1-2H Isómeros SMILES C1=C(C(=CC(=C1Cl)Cl)Cl)N=C=S WGK Alemania 3 Peso molecular 238.52 Beilstein 881221 Reaxy-Rn 881221 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=881221&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 Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Sensibilidad Moisture sensitive Punto de ebullición (°C) 141-142℃/1mmHg Punto de fusión (°C) 42-47°C Peso molecular 238.500 g/mol XLogP3 5.200 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 1 Exact Mass 236.897 Da Monoisotopic Mass 236.897 Da Topological Polar Surface Area 44.500 Ų Heavy Atom Count 12 Formal Charge 0 Complexity 205.000 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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