1-Bromo-2-isopropylbenzene


Chemical Name: 1-Bromo-2-isopropylbenzene
CAS Number: 7073-94-1
Product Number: AG003E2J(AGN-PC-0WA4GD)
Synonyms:
MDL No:
Molecular Formula: C9H11Br
Molecular Weight: 199.0876

Identification/Properties


Properties
MP:
-58.8°C
BP:
210°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Refractive Index:
1.5410
Computed Properties
Molecular Weight:
199.091g/mol
XLogP3:
3.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
0
Rotatable Bond Count:
1
Exact Mass:
198.004g/mol
Monoisotopic Mass:
198.004g/mol
Topological Polar Surface Area:
0A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
98.9
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:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



1-Bromo-2-isopropylbenzene, also known as isopropyl-2-bromobenzene, is a versatile chemical compound widely used in organic synthesis. This compound serves as a valuable building block in the creation of various pharmaceuticals, agrochemicals, and specialty chemicals. One of its primary applications lies in the synthesis of fine chemicals and advanced materials, where it acts as a key intermediate in the production of complex organic molecules. Furthermore, 1-Bromo-2-isopropylbenzene plays a crucial role in the development of novel drugs and materials with potential industrial applications. Its unique chemical properties enable efficient transformations, making it a valuable tool for chemists in designing and constructing intricate molecular structures.