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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)-

Octanoic acid, 2-bromo-, ethyl ester

CCCCCCC(C(=O)OCC)Br Request for Quotation
Chemical Name: Octanoic acid, 2-bromo-, ethyl ester
CAS Number: 5445-29-4
Product Number: AG0034UB(AGN-PC-0JM1D0)
Synonyms:
MDL No:
Molecular Formula: C10H19BrO2
Molecular Weight: 251.1607

Identification/Properties

Properties
BP:
243.1°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Liquid
Refractive Index:
n20/D 1.452(lit.)
Computed Properties
Molecular Weight:
251.164g/mol
XLogP3:
4.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
8
Exact Mass:
250.057g/mol
Monoisotopic Mass:
250.057g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
137
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information

NMR Spectrum

Other Analytical Data

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Chemical Structure


Ethyl 2-bromooctanoate, also known as ethyl caprylate bromide, is a versatile compound widely used in chemical synthesis for various applications. This compound is commonly utilized as an important intermediate in the production of flavors and fragrances, due to its fruity odor reminiscent of apple and pineapple. In addition, ethyl 2-bromooctanoate serves as a key building block in the synthesis of pharmaceuticals, agrochemicals, and other specialty chemicals. Its bromine moiety enables it to participate in diverse reactions such as nucleophilic substitution, esterification, and Grignard reactions, making it a valuable tool for organic chemists. Furthermore, the unique structure of ethyl 2-bromooctanoate lends itself to the creation of complex molecules with specific functionalities, making it a vital component in the arsenal of synthetic chemists.