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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)-

Benzoic acid, 3-iodo-2-methyl-

OC(=O)c1cccc(c1C)I Request for Quotation
Chemical Name: Benzoic acid, 3-iodo-2-methyl-
CAS Number: 133232-56-1
Product Number: AG0014G2(AGN-PC-0KK6SO)
Synonyms:
MDL No:
Molecular Formula: C8H7IO2
Molecular Weight: 262.0444

Identification/Properties

Computed Properties
Molecular Weight:
262.046g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
261.949g/mol
Monoisotopic Mass:
261.949g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
158
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


3-Iodo-2-methylbenzoic acid, also known as 3-iodo-o-toluic acid, is a versatile building block in chemical synthesis. This compound is commonly used in organic chemistry reactions to introduce the 3-iodo substituent into various organic molecules. One of the primary applications of 3-iodo-2-methylbenzoic acid is in the synthesis of pharmaceuticals and agrochemicals. Its unique structure and reactivity make it an important intermediate in the preparation of biologically active compounds. Additionally, this compound can be utilized in the formation of complex organic scaffolds through cross-coupling reactions and other synthetic methodologies. Overall, the incorporation of 3-iodo-2-methylbenzoic acid in chemical synthesis enables the production of diverse compounds with potential applications in the fields of medicine, agriculture, and material science.