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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 2-Phenyl-4H-3,1-benzoxazin-4-one - ≥97% , CAS No.1022-46-4
Synonyms
Bentranil | EU-0066816 | F6R7D8UJO5 | 2-phenyl-[3,1]benzoxazin-4-one | 2-PHENYLBENZO(D)(1,3)OXAZIN-4-ONE | 2-phenylbenzo[d]1,3-oxazin-4-one | NSC 16082 | STK385092 | 2-Phenyl-benzo[d][1,3]oxazin-4-one | BAA02246 | DTXSID60144732 | 2-Phenyl-4H-3,1-benzoxaz
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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.
Descripción general Product Describtion:
Bentranil is a herbicide, which is used for the postemergence control of annual weeds in cereal crops, rice and maize.
Specifications Sinónimos
Bentranil | EU-0066816 | F6R7D8UJO5 | 2-phenyl-[3, 1]benzoxazin-4-one | 2-PHENYLBENZO(D)(1, 3)OXAZIN-4-ONE | 2-phenylbenzo[d]1, 3-oxazin-4-one | NSC 16082 | STK385092 | 2-Phenyl-benzo[d][1, 3]oxazin-4-one | BAA02246 | DTXSID60144732 | 2-Phenyl-4H-3, 1-benzoxaz
Especificaciones y pureza
≥97%
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Pubchem Sid 488181917 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488181917 Sonrisas canónicas C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)O2 IUPAC Name 2-phenyl-3,1-benzoxazin-4-one InChIKey HTTLBYITFHMYFK-UHFFFAOYSA-N INCHI 1S/C14H9NO2/c16-14-11-8-4-5-9-12(11)15-13(17-14)10-6-2-1-3-7-10/h1-9H Isómeros SMILES C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)O2 Peso molecular 223.23 Reaxy-Rn 170624 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=170624&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 Organoheterocyclic compounds Clase Benzoxazines Subclass Not available Intermediate Tree Nodes Not available Direct Parent Benzoxazines Alternative Parents Benzene and substituted derivatives Heteroaromatic compounds Lactones Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Benzoxazine - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Lactone - Oxacycle - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound Descripción This compound belongs to the class of organic compounds known as benzoxazines. These are organic compounds containing a benzene fused to an oxazine ring (a six-membered aliphatic ring with four carbon atoms, one oxygen atom, and one nitrogen atom). 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 Objetivos asociados (humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Punto de ebullición (°C) 189-192° C at 8 mmHg Punto de fusión (°C) 123-125° C Peso molecular 223.230 g/mol XLogP3 2.900 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 1 Exact Mass 223.063 Da Monoisotopic Mass 223.063 Da Topological Polar Surface Area 38.700 Ų Heavy Atom Count 17 Formal Charge 0 Complexity 331.000 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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