Dibenz[b,f][1,4]oxazepin-11(10H)-one, 2-chloro-


Chemical Name: Dibenz[b,f][1,4]oxazepin-11(10H)-one, 2-chloro-
CAS Number: 3158-91-6
Product Number: AG0037OA(AGN-PC-00KEEJ)
Synonyms:
MDL No:
Molecular Formula: C13H8ClNO2
Molecular Weight: 245.6611

Identification/Properties


Properties
MP:
242-244 °C
BP:
320.8°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
245.662g/mol
XLogP3:
3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
245.024g/mol
Monoisotopic Mass:
245.024g/mol
Topological Polar Surface Area:
38.3A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
310
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P280-P305+P351+P338-P304+P340-P405-P501
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



2-Chlorodibenz[b,f][1,4]oxazepin-11(10H)-one is a versatile compound widely used in chemical synthesis as a key intermediate for the creation of various pharmaceuticals, agrochemicals, and functional materials. This compound serves as a vital building block in the construction of complex molecular structures due to its unique structural features and reactivity. Its incorporation in multistep synthesis pathways enables the efficient generation of diverse organic compounds with targeted properties and functionalities. With its strategic placement and functionality, 2-Chlorodibenz[b,f][1,4]oxazepin-11(10H)-one plays a crucial role in the design and production of advanced chemical compounds for a range of applications across industries.