chempirical

1-Bromo-4-butylbenzene

C10H13BrCAS 41492-05-1213.12 g/mol

Open in Covalent MOL file
Br
Aryl halide

Properties

Molecular formula
C10H13Br
Molar mass
213.12 g/mol
Exact mass
212.0201 Da
Density
1.2347 g/mL (at 20 °C)
Melting point
−25.65 °C
Boiling point
102 °C
logP
3.79Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
3

Identifiers

CAS number
41492-05-1
SMILES
CCCCc1ccc(Br)cc1
InChIKey
BRGVKVZXDWGJBX-UHFFFAOYSA-N
InChI
InChI=1S/C10H13Br/c1-2-3-4-9-5-7-10(11)8-6-9/h5-8H,2-4H2,1H3

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Type any one amount. The others follow from the molar mass and density.

Names and synonyms

9 names
  • Benzene, 1-bromo-4-butyl-
  • p-Bromobutylbenzene
  • p-Butylbromobenzene
  • 4-Butylbromobenzene
  • 4-Butylphenyl bromide
  • p-Butylphenyl bromide
  • 4-n-Butylbromobenzene
  • 1-Bromo-4-n-butylbenzene
  • 4-Bromo-1-butylbenzene

Work with 1-Bromo-4-butylbenzene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Bromo-4-pentylbenzene51554-95-187 % similar 1-Bromo-4-dodecylbenzene126930-72-183 % similar 1-Bromo-4-nonylbenzene51554-94-083 % similar 1-Bromo-4-propylbenzene588-93-274 % similar 4-Butylphenol1638-22-862 % similar n-Butylbenzene104-51-858 % similar 1-Bromo-4-ethylbenzene1585-07-556 % similar 4-Butylaniline104-13-256 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1-Bromo-4-phenylbutane13633-25-5 3-Bromo-1,2,4,5-tetramethylbenzene1646-53-3 1-Bromo-4-(2-methylpropyl)benzene2051-99-2 1-Bromo-4-tert-butylbenzene3972-65-4

Elsewhere

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