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· · COA & SDS available for every product · Same-day shipping on in-stock items 3-(Trifluoromethyl)phenyl Isothiocyanate - ≥98%(GC) , CAS No.1840-19-3
Synonyms
GFEPANUKFYVALF-UHFFFAOYSA- | alpha,alpha,alpha-Trifluoro-m-tolyl isothiocyanate | A812830 | D92601 | T2460 | HMS1786G12 | 3-(Trifluoromethyl)phenyl isothiocyanate | InChI=1/C8H4F3NS/c9-8(10,11)6-2-1-3-7(4-6)12-5-13/h1-4H | m-Trifluoromethylphenol isothioc
Storage
Argon charged,Room temperature
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Why this grade ≥98%(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Argon charged,Room temperature 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
GFEPANUKFYVALF-UHFFFAOYSA- | alpha, alpha, alpha-Trifluoro-m-tolyl isothiocyanate | A812830 | D92601 | T2460 | HMS1786G12 | 3-(Trifluoromethyl)phenyl isothiocyanate | InChI=1/C8H4F3NS/c9-8(10, 11)6-2-1-3-7(4-6)12-5-13/h1-4H | m-Trifluoromethylphenol isothioc
Specifications & Purity
≥98%(GC)
Storage
Argon charged, Room temperature
Names and Identifiers Canonical Smiles C1=CC(=CC(=C1)N=C=S)C(F)(F)F IUPAC Name 1-isothiocyanato-3-(trifluoromethyl)benzene InChIKey GFEPANUKFYVALF-UHFFFAOYSA-N INCHI 1S/C8H4F3NS/c9-8(10,11)6-2-1-3-7(4-6)12-5-13/h1-4H Isomeric SMILES C1=CC(=CC(=C1)N=C=S)C(F)(F)F WGK Germany 3 PubChem CID 137232 Molecular Weight 203.18 Beilstein 781205 Reaxy-Rn 781205
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 Class Benzene and substituted derivatives Subclass Trifluoromethylbenzenes Intermediate Tree Nodes Not available Direct Parent Trifluoromethylbenzenes Alternative Parents Isothiocyanates Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides Molecular Framework Aromatic homomonocyclic compounds Substituents Trifluoromethylbenzene - Isothiocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups. 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 Associated Targets(Human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility Hydrolyzes in water. Sensitivity Moisture Sensitive Refractive Index 1.556 Flash Point(°F) 203°F Flash Point(°C) 95°C Boil Point(°C) 208°C Molecular Weight 203.190 g/mol XLogP3 4.700 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 1 Exact Mass 203.002 Da Monoisotopic Mass 203.002 Da Topological Polar Surface Area 44.500 Ų Heavy Atom Count 13 Formal Charge 0 Complexity 220.000 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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