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· · COA & SDS available for every product · 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.
Overview Product Describtion:
Bentranil is a herbicide, which is used for the postemergence control of annual weeds in cereal crops, rice and maize.
Specifications 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
Specifications & Purity
≥97%
Names and Identifiers Pubchem Sid 488181917 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488181917 Canonical Smiles 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 Isomeric SMILES C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)O2 Molecular Weight 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 Class 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 Description 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.
3D Structure Associated Targets(Human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Boil Point(°C) 189-192° C at 8 mmHg Melt Point(°C) 123-125° C Molecular Weight 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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