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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 3-(Trifluoromethyl)phenyl Isocyanate - ≥96%(GC) , CAS No.329-01-1
Synonyms
MFCD00002020 | STK504601 | alpha,alpha,alpha-trifluro-m-tolyl isocyanate | alpha,alpha,alpha-trifluoro-m-tolyl isocynate | NCGC00248794-01 | QPS7LLZ6XM | ISOCYANIC ACID, (m-TRIFLUOROMETHYLPHENYL) ESTER | Tox21_200679 | 3-trifluoromethyl-phenylisocyanat |
Storage
Store at 2-8°C,Argon charged
Shipped In
Wet ice,FedEx DG Service
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Why this grade ≥96%(GC) 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,FedEx DG Service 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Sinónimos
MFCD00002020 | STK504601 | alpha, alpha, alpha-trifluro-m-tolyl isocyanate | alpha, alpha, alpha-trifluoro-m-tolyl isocynate | NCGC00248794-01 | QPS7LLZ6XM | ISOCYANIC ACID, (m-TRIFLUOROMETHYLPHENYL) ESTER | Tox21_200679 | 3-trifluoromethyl-phenylisocyanat |
Especificaciones y pureza
≥96%(GC)
Condiciones de almacenamiento de almacenamiento
Store at 2-8°C, Argon charged
Enviado en
Wet ice, FedEx DG Service
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Nombres e identificadores Sonrisas canónicas C1=CC(=CC(=C1)N=C=O)C(F)(F)F IUPAC Name 1-isocyanato-3-(trifluoromethyl)benzene InChIKey SXJYSIBLFGQAND-UHFFFAOYSA-N INCHI 1S/C8H4F3NO/c9-8(10,11)6-2-1-3-7(4-6)12-5-13/h1-4H Isómeros SMILES C1=CC(=CC(=C1)N=C=O)C(F)(F)F WGK Alemania 2 RTECS NR0200000 PubChem CID 9483 Número ONU 2285 Grupo de embalaje II Peso molecular 187.12 Beilstein 744880 Reaxy-Rn 744880
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 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 Descripción 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.
Estructura 3D Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Solubilidad Soluble in Toluene Sensibilidad Under Inert Atmosphere,storage temp. 2-8°C Índice de refracción 1.47 Punto de inflamación (°F) 136.4 °F Punto de inflamación (°C) 59°C(lit.) Punto de ebullición (°C) 104°C/83mmHg(lit.) Peso molecular 187.120 g/mol XLogP3 4.100 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
Citations of This Product Referencias 1. Jun Peng, Minghua Duan, Zhixin Ou, Yi Wang. (2025) Self-healing superhydrophobic carbon nanotubes/organosilicon-modified polyacrylate composite flexible coating for tensile sensing application. Materials Today Communications, [PMID: [10.1016/j.mtcomm.2025.112509 ]
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