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· · COA & SDS available for every product · Same-day shipping on in-stock items 3-Iodophenyl isothiocyanate - ≥98% , CAS No.3125-73-3
Synonyms
F20953 | 1-Iodo-3-isothiocyanatobenzene | 1-iodo-3-isothiocyanato-benzene | A820774 | I0985 | Isothiocyanic acid, m-iodophenyl ester | LKCSXVAACHUTGC-UHFFFAOYSA-N | 3-Iodophenyl isothiocyanate | 3-Iodophenyl isothiocyanate, 97% | Isothiocyanic Acid 3-Iodo
Storage
Protected from light,Argon charged,Room temperature
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Protected from light,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.
Overview It also referred as m-iodophenyl isothiocyanate, is an isothiocyanate derivative.
Specifications Synonyms
F20953 | 1-Iodo-3-isothiocyanatobenzene | 1-iodo-3-isothiocyanato-benzene | A820774 | I0985 | Isothiocyanic acid, m-iodophenyl ester | LKCSXVAACHUTGC-UHFFFAOYSA-N | 3-Iodophenyl isothiocyanate | 3-Iodophenyl isothiocyanate, 97% | Isothiocyanic Acid 3-Iodo
Specifications & Purity
≥98%
Storage
Protected from light, Argon charged, Room temperature
Names and Identifiers Canonical Smiles C1=CC(=CC(=C1)I)N=C=S IUPAC Name 1-iodo-3-isothiocyanatobenzene InChIKey LKCSXVAACHUTGC-UHFFFAOYSA-N INCHI 1S/C7H4INS/c8-6-2-1-3-7(4-6)9-5-10/h1-4H Isomeric SMILES C1=CC(=CC(=C1)I)N=C=S WGK Germany 3 Molecular Weight 261.09 Beilstein 2802538 Reaxy-Rn 2802538 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2802538&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 Benzenoids Class Benzene and substituted derivatives Subclass Halobenzenes Intermediate Tree Nodes Not available Direct Parent Iodobenzenes Alternative Parents Aryl iodides Isothiocyanates Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organonitrogen compounds Organoiodides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Iodobenzene - Aryl iodide - Aryl halide - Isothiocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organoiodide - Organohalogen compound - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as iodobenzenes. These are aromatic compounds containing one or more iodine atoms attached to a benzene. 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 Sensitivity Moisture & Light Sensitive Melt Point(°C) 44-47℃ Molecular Weight 261.079 g/mol XLogP3 4.700 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 1 Exact Mass 260.911 Da Monoisotopic Mass 260.911 Da Topological Polar Surface Area 44.500 Ų Heavy Atom Count 10 Formal Charge 0 Complexity 154.000 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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