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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-bromo-5-iodo-

Brc1cc(I)cc(c1)C(=O)O Request for Quotation
Chemical Name: Benzoic acid, 3-bromo-5-iodo-
CAS Number: 188815-32-9
Product Number: AG002HDH(AGN-PC-0LO1HD)
Synonyms:
MDL No: MFCD00191851
Molecular Formula: C7H4BrIO2
Molecular Weight: 326.9139

Identification/Properties

Properties
MP:
219-221 °C(lit.)
BP:
385.2°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Stability:
Light Sensitive
Solubility:
Soluble in methanol. Sparingly Soluble (0.20 g/L) (25°C), Calc.
Computed Properties
Molecular Weight:
326.915g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
325.844g/mol
Monoisotopic Mass:
325.844g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
163
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#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


Benzoic acid, 3-bromo-5-iodo- is a valuable compound widely used in chemical synthesis as a key building block for creating various organic compounds. This specific structure of benzoic acid containing bromine and iodine substituents enables it to participate in diverse synthetic pathways to produce complex molecules with specific functionalities. In the field of organic chemistry, benzoic acid, 3-bromo-5-iodo- serves as a versatile intermediate for the synthesis of pharmaceuticals, agrochemicals, polymers, and other specialty chemicals. Its unique reactivity and compatibility with a wide range of reactions make it an indispensable component in the development of novel chemical compounds for various industrial applications.