chempirical

1-Bromo-4-tert-butylbenzene

C10H13BrCAS 3972-65-4213.12 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
1.2028 g/mL (at 30 °C)
Melting point
19 °C
Boiling point
231.5 °C
logP
3.75Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
3972-65-4
SMILES
CC(C)(C)c1ccc(Br)cc1
InChIKey
XHCAGOVGSDHHNP-UHFFFAOYSA-N
InChI
InChI=1S/C10H13Br/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7H,1-3H3

Weigh it out

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

Names and synonyms

16 names · show all
  • Benzene, 1-bromo-4-(1,1-dimethylethyl)-
  • Benzene, 1-bromo-4-tert-butyl-
  • 1-Bromo-4-(1,1-dimethylethyl)benzene
  • p-tert-Butylbromobenzene
  • p-Bromo-tert-butylbenzene
  • 4-tert-Butyl-1-bromobenzene
  • 1-Bromo-4-t-butylbenzene
  • 4-tert-Butylbromobenzene
  • 1-tert-Butyl-4-bromobenzene
  • 4-tert-Butylphenyl bromide
  • 4-Bromo-tert-butylbenzene
  • p-tert-Butylphenyl bromide
  • NSC 43038
  • B 1727
  • 4-t-Butylbromobenzene
  • 4-Bromo-1-tert-butylbenzene

Work with 1-Bromo-4-tert-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

1,4-Di-tert-butylbenzene1012-72-267 % similar Tetrakis(4-bromophenyl)methane105309-59-957 % similar 4,4′-Bis(1,1-dimethylethyl)-1,1′-biphenyl1625-91-857 % similar 1,3-Dibromo-5-tert-butylbenzene129316-09-257 % similar 1-Bromo-3,5-bis(1,1-dimethylethyl)benzene22385-77-957 % similar 4-tert-Butylphenol98-54-457 % similar 1-Bromo-4-(1,1-difluoroethyl)benzene1000994-95-556 % similar 2-(4-Bromophenyl)-2-methylpropanenitrile101184-73-056 % 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-butylbenzene41492-05-1

Elsewhere

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