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· · COA & SDS available for every product · Same-day shipping on in-stock items 1,3-Dihydro-5-phenyl-1,4-benzodiazepin-2-one - ≥97% , CAS No.2898-08-0
Synonyms
5-PHENYL-1H-BENZO[E][1,4]DIAZEPIN-2(3H)-ONE | 2-Butanone, 3-methylsulfonyl-, O-(N-methylcarbamoyl)oxime | CCG-244429 | MFCD00038619 | FT-0645216 | J-517912 | 5-Phenyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one | 5-Phenyl-1,3-dihydrobenzo[e][1,4]diazepin-2-on
Storage
Store at 2-8°C,Argon charged
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Why this grade ≥97% 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 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
5-PHENYL-1H-BENZO[E][1, 4]DIAZEPIN-2(3H)-ONE | 2-Butanone, 3-methylsulfonyl-, O-(N-methylcarbamoyl)oxime | CCG-244429 | MFCD00038619 | FT-0645216 | J-517912 | 5-Phenyl-1, 3-dihydro-benzo[e][1, 4]diazepin-2-one | 5-Phenyl-1, 3-dihydrobenzo[e][1, 4]diazepin-2-on
Specifications & Purity
≥97%
Storage
Store at 2-8°C, Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Canonical Smiles C1C(=O)NC2=CC=CC=C2C(=N1)C3=CC=CC=C3 IUPAC Name 5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one InChIKey IVUAAOBNUNMJQC-UHFFFAOYSA-N INCHI 1S/C15H12N2O/c18-14-10-16-15(11-6-2-1-3-7-11)12-8-4-5-9-13(12)17-14/h1-9H,10H2,(H,17,18) Isomeric SMILES C1C(=O)NC2=CC=CC=C2C(=N1)C3=CC=CC=C3 Molecular Weight 236.27 Reaxy-Rn 746411 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=746411&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 Benzodiazepines Subclass 1,4-benzodiazepines Intermediate Tree Nodes Not available Direct Parent 1,4-benzodiazepines Alternative Parents Alpha amino acids and derivatives Benzene and substituted derivatives Secondary carboxylic acid amides Lactams Ketimines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic heteropolycyclic compounds Substituents 1,4-benzodiazepine - Alpha-amino acid or derivatives - Monocyclic benzene moiety - Benzenoid - Carboxamide group - Ketimine - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Imine - Organic nitrogen compound - Organopnictogen compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as 1,4-benzodiazepines. These are organic compounds containing a benzene ring fused to a 1,4-azepine. 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 Molecular Weight 236.270 g/mol XLogP3 2.200 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 1 Exact Mass 236.095 Da Monoisotopic Mass 236.095 Da Topological Polar Surface Area 41.500 Ų Heavy Atom Count 18 Formal Charge 0 Complexity 344.000 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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