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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)-

Benzene, 1-(bromomethyl)-4-butyl-

CCCCc1ccc(cc1)CBr Request for Quotation
Chemical Name: Benzene, 1-(bromomethyl)-4-butyl-
CAS Number: 10531-16-5
Product Number: AG003L1I(AGN-PC-0NHY6B)
Synonyms:
MDL No:
Molecular Formula: C11H15Br
Molecular Weight: 227.1408

Identification/Properties

Properties
Storage:
Room Temperature;
Form:
Liquid
Computed Properties
Molecular Weight:
227.145g/mol
XLogP3:
4.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
0
Rotatable Bond Count:
4
Exact Mass:
226.036g/mol
Monoisotopic Mass:
226.036g/mol
Topological Polar Surface Area:
0A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
104
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:
Danger
UN#:
3265
Hazard Statements:
H314-H290
Precautionary Statements:
P501-P234-P264-P280-P390-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P406-P405
Class:
8
Packing Group:
Ⅱ

NMR Spectrum

Other Analytical Data

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Chemical Structure


1-(Bromomethyl)-4-butylbenzene is a versatile organic compound that finds extensive application in chemical synthesis processes. This compound serves as a valuable building block in the creation of various advanced molecules due to its unique structure and reactivity. It acts as a halogenated alkyl benzene, allowing for functional group manipulations and further derivatization in organic reactions.In chemical synthesis, 1-(Bromomethyl)-4-butylbenzene can be utilized as a key intermediate in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. Its bromomethyl group can undergo substitution reactions, enabling the introduction of different substituents to tailor the properties of the final product.Furthermore, this compound can participate in cross-coupling reactions, such as Suzuki-Miyaura coupling, Heck reaction, or Stille coupling, to form complex molecules with specific structural motifs. Its butyl chain provides flexibility and steric effects that can influence the overall chemical reactivity and selectivity in various transformations.Overall, the presence of the bromomethyl and butyl moieties in 1-(Bromomethyl)-4-butylbenzene makes it a valuable and versatile tool in the hands of synthetic chemists for designing and synthesizing novel compounds with diverse applications.