1-Chloro-4-(1,1-dimethylethyl)benzene
Properties
- Molecular formula
- C10H13Cl
- Molar mass
- 168.66 g/mol
- Exact mass
- 168.0706 Da
- Density
- 1.0075 g/mL (at 18.5 °C)
- Melting point
- 23 °C
- Boiling point
- 213 °C
- logP
- 3.64Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 0
Identifiers
CAS number
3972-56-3SMILES
CC(C)(C)c1ccc(Cl)cc1InChIKey
XRTANKYQJQXSFP-UHFFFAOYSA-NInChI
InChI=1S/C10H13Cl/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7H,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
10 names
- Benzene, 1-chloro-4-(1,1-dimethylethyl)-
- Benzene, 1-tert-butyl-4-chloro-
- p-Chloro-tert-butylbenzene
- 1-tert-Butyl-4-chlorobenzene
- p-tert-Butylchlorobenzene
- 4-tert-Butylchlorobenzene
- 4-Chloro-tert-butylbenzene
- 1-Chloro-4-tert-butylbenzene
- 4-tert-Butylphenyl chloride
- 4-tert-Butyl-1-chlorobenzene
Work with 1-Chloro-4-(1,1-dimethylethyl)benzene
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
4,4′-Bis(1,1-dimethylethyl)-1,1′-biphenyl1625-91-857 % similar
1,1-Bis(4-chlorophenyl)ethanol80-06-856 % similar
4-Chlorobenzotrichloride5216-25-152 % similar
4-tert-Butyltoluene98-51-152 % similar
1,4-Dichlorobenzene106-46-750 % similar
4-tert-Butylbenzyl chloride19692-45-650 % similar
4-tert-Butylthiophenol2396-68-150 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds