Benzene,2-bromo-1-(1-methylethyl)-4-nitro-


Chemical Name: Benzene,2-bromo-1-(1-methylethyl)-4-nitro-
CAS Number: 101980-41-0
Product Number: AG000663(AGN-PC-0OR4QD)
Synonyms:
MDL No:
Molecular Formula: C9H10BrNO2
Molecular Weight: 244.0852

Identification/Properties


Computed Properties
Molecular Weight:
244.088g/mol
XLogP3:
3.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
242.989g/mol
Monoisotopic Mass:
242.989g/mol
Topological Polar Surface Area:
45.8A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
191
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#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



2-Bromo-1-isopropyl-4-nitrobenzene is a versatile compound widely used in chemical synthesis processes. In organic chemistry, it serves as a key intermediate in the production of various pharmaceuticals, agrochemicals, and other specialty chemicals. This compound is particularly valued for its utility in the preparation of heterocyclic compounds and complex organic molecules. Additionally, 2-Bromo-1-isopropyl-4-nitrobenzene is commonly employed as a building block for the synthesis of advanced materials and in the development of novel chemical reactions. Its unique structure and reactivity make it an essential tool for chemists seeking to create intricate molecular structures and functional materials for a diverse range of applications.