chempirical

1-Chloro-4-phenylbutane

C10H13ClCAS 4830-93-7168.66 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
1.0764 g/mL (at 20 °C)
Melting point
53 °C
Boiling point
122–123 °C (at 17 Torr)
logP
3.25Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
4

Identifiers

CAS number
4830-93-7
SMILES
ClCCCCc1ccccc1
InChIKey
FLLZCZIHURYEQP-UHFFFAOYSA-N
InChI
InChI=1S/C10H13Cl/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2

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

Names and synonyms

6 names
  • Benzene, (4-chlorobutyl)-
  • (4-Chlorobutyl)benzene
  • 4-Phenylbutyl chloride
  • 4-Phenyl-1-chlorobutane
  • δ-Chlorobutylbenzene
  • 1-(4-Chlorobutyl)benzene

Work with 1-Chloro-4-phenylbutane

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-Chloro-3-phenylpropane104-52-984 % similar Phenylethyl chloride622-24-270 % similar 1,3-Diphenylpropane1081-75-058 % similar Bibenzyl103-29-753 % similar Benzyl chloride100-44-750 % similar Benzenebutanamine13214-66-950 % similar Benzenebutanol3360-41-650 % similar Decylbenzene104-72-348 % 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 4-Isopropylbenzyl chloride2051-18-5 1-Chloro-4-(1,1-dimethylethyl)benzene3972-56-3 Neophyl chloride515-40-2 1-(1-Chloroethyl)-2,3-dimethylbenzene60907-88-2

Elsewhere

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