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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)-

2-Methyl-3-nitrophenylboronic acid

OB(c1cccc(c1C)[N+](=O)[O-])O Request for Quotation
Chemical Name: 2-Methyl-3-nitrophenylboronic acid
CAS Number: 1072945-60-8
Product Number: AG00HAYU(AGN-PC-0WA6XR)
Synonyms:
MDL No:
Molecular Formula: C7H8BNO4
Molecular Weight: 180.9537

Identification/Properties

Computed Properties
Molecular Weight:
180.954g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
181.055g/mol
Monoisotopic Mass:
181.055g/mol
Topological Polar Surface Area:
86.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
193
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-H315-H319-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


The (2-Methyl-3-nitrophenyl)boronic acid is a versatile chemical compound widely used in chemical synthesis, particularly in the field of organic chemistry. Its unique properties make it an essential reagent in various synthetic reactions, with applications in the preparation of pharmaceuticals, agrochemicals, and materials science.In chemical synthesis, (2-Methyl-3-nitrophenyl)boronic acid serves as a valuable building block for the construction of complex molecules due to its boron atom, which can easily form stable covalent bonds with carbon, oxygen, nitrogen, and other elements. This enables it to participate in various cross-coupling reactions, such as Suzuki coupling, Sonogashira coupling, and Stille coupling, leading to the formation of new carbon-carbon and carbon-heteroatom bonds.Furthermore, the nitro group in the molecule provides a handle for further functionalization, allowing for the introduction of diverse chemical functionalities. This flexibility in chemical modifications makes (2-Methyl-3-nitrophenyl)boronic acid an indispensable tool for organic chemists seeking to tailor molecular structures with precision and efficiency.Overall, the application of (2-Methyl-3-nitrophenyl)boronic acid in chemical synthesis underscores its significance as a versatile reagent that enables the construction of complex molecules with diverse applications in various industries.