1,4-Benzodioxin, 2,3-dihydro-6-nitro-


Chemical Name: 1,4-Benzodioxin, 2,3-dihydro-6-nitro-
CAS Number: 16498-20-7
Product Number: AG001V7G(AGN-PC-0JLVPF)
Synonyms:
MDL No:
Molecular Formula: C8H7NO4
Molecular Weight: 181.1455

Identification/Properties


Properties
MP:
120-124 °C
BP:
297.2°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
181.147g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
0
Exact Mass:
181.038g/mol
Monoisotopic Mass:
181.038g/mol
Topological Polar Surface Area:
64.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
203
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:
H302-H315-H319-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



6-Nitro-2,3-dihydrobenzo[b][1,4]dioxine, a compound with a structure deeply embedded in organic chemistry, plays a crucial role in chemical synthesis. Known for its unique aromatic properties, this compound serves as a versatile building block in the production of various pharmaceuticals and agrochemicals. Its strategic placement of functional groups allows for precise manipulation during synthetic reactions, making it a valuable intermediate in the creation of more complex molecular structures. In addition, its nitro functionality offers opportunities for further derivatization, expanding its utility in the development of novel compounds with diverse applications across industries.