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· · COA & SDS available for every product · Same-day shipping on in-stock items 2-(Trifluoromethyl)phenyl isocyanate - ≥97% , CAS No.2285-12-3
Synonyms
PS-10277 | BRN 0977056 | SCHEMBL75112 | 2-Trifluoromethylphenyl isocyanate | UWK587J8BW | DTXSID10177393 | 2-Trifluoromethylphenylaisocyanate | ISOCYANIC ACID, (alpha,alpha,alpha-TRIFLUORO-o-TOLYL) ESTER | InChI=1/C8H4F3NO/c9-8(10,11)6-3-1-2-4-7(6)12-5-13
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 Synonyms
PS-10277 | BRN 0977056 | SCHEMBL75112 | 2-Trifluoromethylphenyl isocyanate | UWK587J8BW | DTXSID10177393 | 2-Trifluoromethylphenylaisocyanate | ISOCYANIC ACID, (alpha, alpha, alpha-TRIFLUORO-o-TOLYL) ESTER | InChI=1/C8H4F3NO/c9-8(10, 11)6-3-1-2-4-7(6)12-5-13
Specifications & Purity
≥97%
Storage
Store at 2-8°C, Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Canonical Smiles C1=CC=C(C(=C1)C(F)(F)F)N=C=O IUPAC Name 1-isocyanato-2-(trifluoromethyl)benzene InChIKey GZWGTVZRRFPVAS-UHFFFAOYSA-N INCHI 1S/C8H4F3NO/c9-8(10,11)6-3-1-2-4-7(6)12-5-13/h1-4H Isomeric SMILES C1=CC=C(C(=C1)C(F)(F)F)N=C=O WGK Germany 2 RTECS NR0201000 PubChem CID 16794 UN Number 2285 Packing Group II Molecular Weight 187.12 Reaxy-Rn 977056
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 Isocyanates Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Molecular Framework Aromatic homomonocyclic compounds Substituents Trifluoromethylbenzene - Isocyanate - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxide - Hydrocarbon derivative - Alkyl halide - Alkyl fluoride - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - 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 Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility Hydrolyzes in water. Sensitivity Moisture & Heat sensitive Refractive Index 1.4755 Flash Point(°F) 138.2 °F Flash Point(°C) 59 °C Boil Point(°C) 79°C/11mmHg Molecular Weight 187.120 g/mol XLogP3 3.600 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 1 Exact Mass 187.024 Da Monoisotopic Mass 187.024 Da Topological Polar Surface Area 29.400 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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