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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)-

4-Bromo-2-methoxybenzotrifluoride

COc1cc(Br)ccc1C(F)(F)F Request for Quotation
Chemical Name: 4-Bromo-2-methoxybenzotrifluoride
CAS Number: 944805-63-4
Product Number: AG0033XL(AGN-PC-0WAA2S)
Synonyms:
MDL No:
Molecular Formula: C8H6BrF3O
Molecular Weight: 255.0318

Identification/Properties

Properties
BP:
235°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Computed Properties
Molecular Weight:
255.034g/mol
XLogP3:
3.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
253.955g/mol
Monoisotopic Mass:
253.955g/mol
Topological Polar Surface Area:
9.2A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
171
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-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


4-Bromo-2-methoxybenzotrifluoride is a versatile chemical compound commonly used in organic synthesis as a valuable building block. It serves as a key intermediate in the preparation of various advanced pharmaceuticals, agrochemicals, and fine chemicals. This compound is particularly valued for its ability to introduce a bromine atom and a methoxy group in organic molecules, making it essential for creating diverse chemical structures. Its presence in chemical reactions can lead to the formation of unique and complex molecular architectures with specific properties and functions. Additionally, 4-Bromo-2-methoxybenzotrifluoride plays a crucial role in the development of innovative materials and drug discovery processes due to its reactivity and compatibility in various synthetic pathways. Its application in chemical synthesis enables chemists to efficiently design and produce novel compounds with promising biological activities and industrial applications.