CAS 41492-05-1|1-Bromo-4-(n-butyl)benzene|1-bromo-4-butylbenzene|1-bromo-4-butylbenzene|1-Bromo-4-(but-1-yl)benzene|4-(But-1-yl)bromobenzene|1-(4-Bromophenyl)butane|1-Bromo-4-butylbenzene|1-溴-4-丁基...

General Information

Structure

Molecular Formula

C₁₀H₁₃Br

Molecular Mass

213.11422

Exact Mass

212.02006242

Charge

InChI

InChI=1S/C10H13Br/c1-2-3-4-9-5-7-10(11)8-6-9/h5-8H,2-4H2,1H3

InChIKey

BRGVKVZXDWGJBX-UHFFFAOYSA-N

Canonic Smiles

CCCCc1ccc(cc1)Br

Isomeric Smiles

c1c(ccc(c1)Br)CCCC

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

4.5891256

LogD (pH = 7.4)

4.5891256

Log P

4.5891256

Molar Refractivity

52.525

Polarizability

20.307026

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

1-Bromo-4-(n-butyl)benzene1-Bromo-4-(but-1-yl)benzene4-(But-1-yl)bromobenzene1-(4-Bromophenyl)butane1-Bromo-4-butylbenzene1-溴-4-丁基苯1-Bromo-4-n-butylbenzene1-Bromo-4-butylbenzene4-n-Butylbromobenzene1-溴-4-n-丁基苯4-Bromo-n-butylbenzene

IUPAC Traditional name

1-bromo-4-butylbenzene

IUPAC name

1-bromo-4-butylbenzene

Names and Identifiers

Registration numbers

PubChem SID

PubChem CID

CAS Number

MDL Number

Beilstein Number

Registration numbers

Properties

Product Information

97%

98%

CH3(CH2)3C6H4Br

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

Sigma Aldrich

335762

Packaging
25, 100 g in glass bottle

Molecule Details

References

PubChem Literature

From Data Sources

• The coupling reaction of aryl bromides with secondary amines, catalyzed by Pd complexes of Tri(o-tolyl)phosphine, A12093, is exemplified by reactions of this bromide with piperidine, diethylamine, etc., in the presence of a strong base e.g. LiHMDS: Tetrahedron Lett., 36, 3609 (1995).

References

Bioactivity

PubChem BioAssay

Bioactivity