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· · COA & SDS available for every product · Same-day shipping on in-stock items (3-Fluorophenyl)thiourea - ≥97% , CAS No.458-05-9
Synonyms
1-(3-fluorophenyl)thiourea | D85867 | SCHEMBL147446 | 3-fluorophenylthiourea | PS-8696 | EN300-87363 | SMR000461036 | A826898 | MFCD00041167 | DTXSID10370509 | FT-0615746 | FT-0605626 | (3-Fluorophenyl)thiourea, 97% | MLS000860257 | AKOS009140721 | Blumen
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Why this grade ≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping 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
1-(3-fluorophenyl)thiourea | D85867 | SCHEMBL147446 | 3-fluorophenylthiourea | PS-8696 | EN300-87363 | SMR000461036 | A826898 | MFCD00041167 | DTXSID10370509 | FT-0615746 | FT-0605626 | (3-Fluorophenyl)thiourea, 97% | MLS000860257 | AKOS009140721 | Blumen
Specifications & Purity
≥97%
Names and Identifiers Pubchem Sid 504761198 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504761198 Canonical Smiles C1=CC(=CC(=C1)F)NC(=S)N IUPAC Name (3-fluorophenyl)thiourea InChIKey YKOBLHQALWQKTC-UHFFFAOYSA-N INCHI 1S/C7H7FN2S/c8-5-2-1-3-6(4-5)10-7(9)11/h1-4H,(H3,9,10,11) Isomeric SMILES C1=CC(=CC(=C1)F)NC(=S)N WGK Germany 3 Molecular Weight 170.21 Reaxy-Rn 2718454 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2718454&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 N-phenylthioureas Intermediate Tree Nodes Not available Direct Parent N-phenylthioureas Alternative Parents Fluorobenzenes Aryl fluorides Thioureas Organopnictogen compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents N-phenylthiourea - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Thiourea - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as n-phenylthioureas. These are compounds containing a N-phenylthiourea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a thiourea group. 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) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Melt Point(°C) 114-117 °C (lit.) Molecular Weight 170.210 g/mol XLogP3 1.900 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 1 Exact Mass 170.031 Da Monoisotopic Mass 170.031 Da Topological Polar Surface Area 70.100 Ų Heavy Atom Count 11 Formal Charge 0 Complexity 151.000 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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