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· · COA & SDS für jedes Produkt verfügbar · Versand am selben Tag für Lagerartikel Hexylisothiocyanat - ≥97% , CAS No.4404-45-9
Synonyms
1-Isothiocyanatohexan # | EN300-17186 | SCHEMBL331230 | EINECS 224-549-2 | FEMA NO. 4422 | Z56899052 | Isothiocyanursäure, Hexylester | n-Hexylisothiocyanat | Hexylisothiocyanat, 95% | 1-Isothiocyanatohexan | 1-Isothiocyanato-hexan | FS-3912 | Hexy
Storage
Lagerung bei 2-8°C, Argon geladen
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Why this grade ≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Lagerung bei 2-8°C, Argon geladen Ships Nasses Eis 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 Synonyme
1-Isothiocyanatohexan # | EN300-17186 | SCHEMBL331230 | EINECS 224-549-2 | FEMA NO. 4422 | Z56899052 | Isothiocyanursäure, Hexylester | n-Hexylisothiocyanat | Hexylisothiocyanat, 95% | 1-Isothiocyanatohexan | 1-Isothiocyanato-hexan | FS-3912 | Hexy
Spezifikationen & Reinheit
≥97%
Storage
Lagerung bei 2-8°C, Argon geladen
Namen und Kennungen Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/508813500
Kanonisches Lächeln
CCCCCCN=C=S
IUPAC Name
1-isothiocyanatohexane
InChIKey
WXYAXKKXIGHXDS-UHFFFAOYSA-N
INCHI
1S/C7H13NS/c1-2-3-4-5-6-8-7-9/h2-6H2,1H3
Isomere SMILES
CCCCCCN=C=S
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1751837&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 Organosulfur compounds Klasse Isothiocyanates Subclass Not available Intermediate Tree Nodes Not available Direct Parent Isothiocyanates Alternative Parents Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives Molecular Framework Aliphatic acyclic compounds Substituents Isothiocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aliphatic acyclic compound Beschreibung This compound belongs to the class of organic compounds known as isothiocyanates. These are organic compounds containing the isothiocyanate group, an isocyanate analogue with the general formula RN=C=S. 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.
3D-Struktur Zugehörige Ziele (nicht menschlich) Wirkungsmechanismen Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm) Chemische und physikalische Eigenschaften Empfindlichkeit Moisture Sensitive Brechungsindex 1.493(lit.) Flammpunkt (°F) 195.8 °F Flammpunkt (°C) 91 °C Siedepunkt (°C) 136-138 °C/96 mmHg(lit.) Molekulargewicht 143.250 g/mol XLogP3 3.900 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 5 Exact Mass 143.077 Da Monoisotopic Mass 143.077 Da Topological Polar Surface Area 44.500 Ų Heavy Atom Count 9 Formal Charge 0 Complexity 95.100 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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