chempirical

4-tert-Butylbenzyl chloride

C11H15ClCAS 19692-45-6182.69 g/mol

Open in Covalent MOL file
Cl
Alkyl halide

Properties

Molecular formula
C11H15Cl
Molar mass
182.69 g/mol
Exact mass
182.0862 Da
Melting point
−18 °C
Boiling point
115 °C (at 16 Torr)
logP
3.72Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
19692-45-6
SMILES
CC(C)(C)c1ccc(CCl)cc1
InChIKey
WAXIFMGAKWIFDQ-UHFFFAOYSA-N
InChI
InChI=1S/C11H15Cl/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7H,8H2,1-3H3

Weigh it out

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

Names and synonyms

10 names
  • Benzene, 1-(chloromethyl)-4-(1,1-dimethylethyl)-
  • Toluene, p-tert-butyl-α-chloro-
  • 1-(Chloromethyl)-4-(1,1-dimethylethyl)benzene
  • p-tert-Butylbenzyl chloride
  • 4-(1,1-Dimethylethyl)benzyl chloride
  • 1-Chloromethyl-4-tert-butylbenzene
  • 1-(1,1-Dimethylethyl)-4-chloromethylbenzene
  • 4-t-Butylbenzyl chloride
  • p-(Chloromethyl)-tert-butylbenzene
  • 1-tert-Butyl-4-(chloromethyl)benzene

Work with 4-tert-Butylbenzyl chloride

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Xylylene dichloride623-25-657 % similar 4-tert-Butylbenzyl bromide18880-00-756 % similar 4-(1,1-Dimethylethyl)benzenemethanamine39895-55-156 % similar 4-tert-Butylbenzyl alcohol877-65-656 % similar 4-(1,1-Dimethylethyl)benzeneethanol5406-86-054 % similar 4-Methylbenzyl chloride104-82-550 % similar 4-Ethylbenzyl chloride1467-05-650 % similar 4,4′-Bis(1,1-dimethylethyl)-1,1′-biphenyl1625-91-850 % similar

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

Elsewhere

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