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· · COA & SDS available for every product · Same-day shipping on in-stock items Octadecyl isothiocyanate - ≥98% , CAS No.2877-26-1
Synonyms
Octadecane, 1-isothiocyanato- | FT-0607994 | J-017255 | 1-isothiocyanatooctadecane | ?Octadecyl isothiocyanate | MFCD00041124 | Octadecylisothiocyanate | A819586 | Octadecyl isothiocyanate | EINECS 220-722-1 | AKOS015839792 | DTXSID0062680 | SCHEMBL331790
Storage
Room temperature,Argon charged
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Why this grade ≥98% 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 Synonyms
Octadecane, 1-isothiocyanato- | FT-0607994 | J-017255 | 1-isothiocyanatooctadecane | ?Octadecyl isothiocyanate | MFCD00041124 | Octadecylisothiocyanate | A819586 | Octadecyl isothiocyanate | EINECS 220-722-1 | AKOS015839792 | DTXSID0062680 | SCHEMBL331790
Specifications & Purity
≥98%
Storage
Room temperature, Argon charged
Names and Identifiers Canonical Smiles CCCCCCCCCCCCCCCCCCN=C=S IUPAC Name 1-isothiocyanatooctadecane InChIKey VJIRSSFEIRFISD-UHFFFAOYSA-N INCHI 1S/C19H37NS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19-21/h2-18H2,1H3 Isomeric SMILES CCCCCCCCCCCCCCCCCCN=C=S Molecular Weight 311.58 Beilstein 1791452 Reaxy-Rn 1791452 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1791452&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 Class 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 Description 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 Structure Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Refractive Index n20D1.48 Boil Point(°C) 370.3° C at 760 mmHg Melt Point(°C) 28-30° C Molecular Weight 311.600 g/mol XLogP3 10.400 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 17 Exact Mass 311.265 Da Monoisotopic Mass 311.265 Da Topological Polar Surface Area 44.500 Ų Heavy Atom Count 21 Formal Charge 0 Complexity 234.000 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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