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10,11-Dihydrodibenz[b,f][1,4]oxazepin-11-one - 97%, high purity , CAS No.3158-85-8
Basic Description
Synonyms
11-oxo-dibenz[b,f][1,4]oxazepine | 10,11-Dihydrodibenz[b,f][1,4]oxazepin-11-one, 97% | FT-0767176 | SCHEMBL380110 | 10H-dibenz[b,f][1,4]oxazepin-11-one | Bis(2-butoxyethyl)phthalate | Dibenz(b,f)(1,4)oxazepin-11(10H)-one | n-Octyl phthalate | Dibenzo[b,f]
Specifications & Purity
≥97%
Storage Temp
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
Application：
10,11-Dihydrodibenz[b,f][1,4]oxazepin-11-one may be used in chemical synthesis studies.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Ethers
Intermediate Tree Nodes
Not available
Direct Parent
Diarylethers
Alternative Parents
Benzenoids Secondary carboxylic acid amides Lactams Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Diaryl ether - Benzenoid - Secondary carboxylic acid amide - Lactam - Carboxamide group - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.
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.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
Pubchem Sid
488184690
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488184690
IUPAC Name
5H-benzo[b][1,4]benzoxazepin-6-one
INCHI
InChI=1S/C13H9NO2/c15-13-9-5-1-3-7-11(9)16-12-8-4-2-6-10(12)14-13/h1-8H,(H,14,15)
InChIKey
OXMPDOZBQGHTGH-UHFFFAOYSA-N
Smiles
C1=CC=C2C(=C1)C(=O)NC3=CC=CC=C3O2
Isomeric SMILES
C1=CC=C2C(=C1)C(=O)NC3=CC=CC=C3O2
WGK Germany
3
Molecular Weight
211.22
Reaxy-Rn
173549
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=173549&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C)
211-213 °C
Molecular Weight
211.220 g/mol
XLogP3
2.400
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
211.063 Da
Monoisotopic Mass
211.063 Da
Topological Polar Surface Area
38.300 Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
279.000
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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D2318380