chempirical

4-Isopropylbenzyl chloride

C10H13ClCAS 2051-18-5168.66 g/mol

Open in Covalent MOL file
Cl
Alkyl halide

Properties

Molecular formula
C10H13Cl
Molar mass
168.66 g/mol
Exact mass
168.0706 Da
Density
1.024 g/mL (at 20 °C)
Boiling point
120–124 °C (at 26 Torr)
logP
3.55Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
2

Identifiers

CAS number
2051-18-5
SMILES
CC(C)c1ccc(CCl)cc1
InChIKey
CYAKWEQUWJAHLW-UHFFFAOYSA-N
InChI
InChI=1S/C10H13Cl/c1-8(2)10-5-3-9(7-11)4-6-10/h3-6,8H,7H2,1-2H3

Weigh it out

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

Names and synonyms

9 names
  • Benzene, 1-(chloromethyl)-4-(1-methylethyl)-
  • p-Cymene, 7-chloro-
  • 1-(Chloromethyl)-4-(1-methylethyl)benzene
  • p-Isopropylbenzyl chloride
  • p-(Chloromethyl)cumene
  • 1-(Chloromethyl)-4-isopropylbenzene
  • NSC 33915
  • 1-(Chloromethyl)-4-propan-2-ylbenzene
  • 1-(Chloromethyl)-4-(propan-2-yl)benzene

Work with 4-Isopropylbenzyl 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

1,4-Diisopropylbenzene100-18-557 % similar Xylylene dichloride623-25-657 % similar P-Cymen-7-ol536-60-756 % similar 4-Methylbenzyl chloride104-82-550 % similar 4-Ethylbenzyl chloride1467-05-650 % similar 4,4′-Bis(chloromethyl)biphenyl1667-10-350 % similar 4-Chlorobenzyl chloride104-83-646 % similar P-Cymene99-87-646 % similar

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

Same formula

1-Butyl-4-chlorobenzene15499-27-1 2,4,6-Trimethylbenzyl chloride1585-16-6 1-Chloro-4-(1,1-dimethylethyl)benzene3972-56-3 1-Chloro-4-phenylbutane4830-93-7 Neophyl chloride515-40-2 1-(1-Chloroethyl)-2,3-dimethylbenzene60907-88-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook