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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 3,4-Dichlorobenzenethiol - ≥97%(GC)(T) , CAS No.5858-17-3
Synonyms
AKOS005206957 | 3,4-Dichlorobenzenethiol, 97% | 3.4-Dichlorobenzene thiol | 3,4-dichlorophenylmercaptan | PS-8554 | 3,4-bis(chloranyl)benzenethiol | MFCD00004840 | W-105380 | A831936 | 3,4-Dichloro thiophenol | ?3,4-Dichloro thiophenol | SCHEMBL364114 | H
Storage
Room temperature,Argon charged
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Why this grade ≥97%(GC)(T) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature,Argon charged 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
AKOS005206957 | 3,4-Dichlorobenzenethiol, 97% | 3.4-Dichlorobenzene thiol | 3,4-dichlorophenylmercaptan | PS-8554 | 3,4-bis(chloranyl)benzenethiol | MFCD00004840 | W-105380 | A831936 | 3,4-Dichloro thiophenol | ?3,4-Dichloro thiophenol | SCHEMBL364114 | H
Especificaciones y pureza
≥97%(GC)(T)
Condiciones de almacenamiento de almacenamiento
Room temperature,Argon charged
Nombres e identificadores Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504755427
Sonrisas canónicas
C1=CC(=C(C=C1S)Cl)Cl
IUPAC Name
3,4-dichlorobenzenethiol
InChIKey
HNJZDPKMMZXSKT-UHFFFAOYSA-N
INCHI
1S/C6H4Cl2S/c7-5-2-1-4(9)3-6(5)8/h1-3,9H
Isómeros SMILES
C1=CC(=C(C=C1S)Cl)Cl
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2042869&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 Chlorobenzenes Direct Parent Dichlorobenzenes Alternative Parents Thiophenols Aryl chlorides Thiols Organochlorides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Thiophenol - 1,2-dichlorobenzene - Aryl halide - Aryl chloride - Arylthiol - Hydrocarbon derivative - Organosulfur compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound Descripción 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.
Estructura 3D Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Sensibilidad Air Sensitive Punto de ebullición (°C) 81°C/8mmHg(lit.) Punto de fusión (°C) 21 °C Peso molecular 179.070 g/mol XLogP3 3.500 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 1 Rotatable Bond Count 0 Exact Mass 177.941 Da Monoisotopic Mass 177.941 Da Topological Polar Surface Area 1.000 Ų Heavy Atom Count 9 Formal Charge 0 Complexity 97.100 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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