1-Butyl-4-chlorobenzene

C10H13ClCAS 15499-27-1168.66 g/mol

Open in Covalent MOL file
Cl
Aryl halide

Properties

Molecular formula
C10H13Cl
Molar mass
168.66 g/mol
Exact mass
168.0706 Da
logP
3.68Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number
15499-27-1
SMILES
CCCCc1ccc(Cl)cc1
InChIKey
SKNUPXIXICTRJE-UHFFFAOYSA-N
InChI
InChI=1S/C10H13Cl/c1-2-3-4-9-5-7-10(11)8-6-9/h5-8H,2-4H2,1H3

Weigh it out

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

Names and synonyms

4 names
  • Benzene, 1-butyl-4-chloro-
  • p-Chlorobutylbenzene
  • 4-Butylchlorobenzene
  • 4-Butyl-1-chlorobenzene

Work with 1-Butyl-4-chlorobenzene

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

n-Butylbenzene104-51-858 % similar 1-Chloro-4-ethylbenzene622-98-056 % similar 4-Butylaniline104-13-256 % similar 4-Butylphenol1638-22-856 % similar 4-Butyl-1,1'-biphenyl37909-95-856 % similar 1-Bromo-4-butylbenzene41492-05-156 % similar 4-N-Butylbenzylamine57802-79-656 % similar 4-Chlorobenzenepropanol6282-88-856 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,4,6-Trimethylbenzyl chloride1585-16-6 4-Isopropylbenzyl chloride2051-18-5 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

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