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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

Benzene, 1-(1,1-dimethylethyl)-3-nitro-

[O-][N+](=O)c1cccc(c1)C(C)(C)C Request for Quotation
Chemical Name: Benzene, 1-(1,1-dimethylethyl)-3-nitro-
CAS Number: 23132-52-7
Product Number: AG002MAL(AGN-PC-0JLYDD)
Synonyms:
MDL No:
Molecular Formula: C10H13NO2
Molecular Weight: 179.2157

Identification/Properties

Computed Properties
Molecular Weight:
179.219g/mol
XLogP3:
3.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
179.095g/mol
Monoisotopic Mass:
179.095g/mol
Topological Polar Surface Area:
45.8A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
190
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

NMR Spectrum

Other Analytical Data

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Chemical Structure


1-(tert-Butyl)-3-nitrobenzene is a versatile compound widely used in chemical synthesis for various applications. This specific compound serves as a key building block in the production of pharmaceuticals, agrochemicals, and specialty chemicals due to its unique reactivity and structural properties. In organic synthesis, 1-(tert-Butyl)-3-nitrobenzene is commonly employed as a precursor in the preparation of complex molecules with valuable biological activities. Its nitro group can undergo various functional group transformations, such as reduction and substitution reactions, to introduce different functional groups into the molecule. This flexibility makes it a valuable starting material for the synthesis of diverse organic compounds with tailored properties. Additionally, the tert-butyl group provides steric hindrance, which can influence the regioselectivity and stereochemistry of certain reactions, thus enabling chemists to control the outcome of the synthesis. Overall, 1-(tert-Butyl)-3-nitrobenzene plays a crucial role in advancing the field of chemical synthesis by enabling the creation of novel compounds with specialized functions and applications.