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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, 4-(3-bromopropoxy)-, methyl ester

BrCCCOc1ccc(cc1)C(=O)OC Request for Quotation
Chemical Name: Benzoic acid, 4-(3-bromopropoxy)-, methyl ester
CAS Number: 135998-88-8
Product Number: AG007N2O(AGN-PC-0KYYVQ)
Synonyms:
MDL No:
Molecular Formula: C11H13BrO3
Molecular Weight: 273.1231

Identification/Properties

Computed Properties
Molecular Weight:
273.126g/mol
XLogP3:
3.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
6
Exact Mass:
272.005g/mol
Monoisotopic Mass:
272.005g/mol
Topological Polar Surface Area:
35.5A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
188
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:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


The Methyl 4-(3-bromopropoxy)benzoate is commonly used in chemical synthesis as a versatile building block for the preparation of various organic compounds. It serves as a key intermediate in the synthesis of pharmaceuticals, agrochemicals, and materials. Its unique structure allows for the introduction of functional groups at specific positions, making it a valuable tool for designing and creating new molecules with desired properties. In organic synthesis, this compound can undergo various transformation reactions such as esterifications, nucleophilic substitutions, and cross-coupling reactions to yield complex structures with diverse applications. The Methyl 4-(3-bromopropoxy)benzoate plays a crucial role in the development of novel chemical entities for medicinal chemistry, material science, and other fields requiring tailored organic molecules.