chempirical

2-Chloroethyl P-toluenesulfonate

C9H11ClO3SCAS 80-41-1234.69 g/mol

Open in Covalent MOL file
SOOOCl
Alkyl halideSulfonate ester

Properties

Molecular formula
C9H11ClO3S
Molar mass
234.69 g/mol
Exact mass
234.0117 Da
Density
1.361 g/mL (at 20 °C)
Melting point
22.5–23 °C
Boiling point
210 °C (at 21 Torr)
logP
1.94Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
4

Identifiers

CAS number
80-41-1
SMILES
Cc1ccc(S(=O)(=O)OCCCl)cc1
InChIKey
ZXNMIUJDTOMBPV-UHFFFAOYSA-N
InChI
InChI=1S/C9H11ClO3S/c1-8-2-4-9(5-3-8)14(11,12)13-7-6-10/h2-5H,6-7H2,1H3

Weigh it out

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

Names and synonyms

17 names · show all
  • Ethanol, 2-chloro-, 1-(4-methylbenzenesulfonate)
  • Ethanol, 2-chloro-, 4-methylbenzenesulfonate
  • Ethanol, 2-chloro-, p-toluenesulfonate
  • 2-Chloroethanol p-toluenesulfonate
  • 2-Chloroethyl p-tosylate
  • β-Chloroethyl p-toluenesulfonate
  • 2-Chloroethyl tosylate
  • 2-(p-Toluenesulfonyloxy)ethyl chloride
  • 2-Chloroethyl 4-methylbenzenesulfonate
  • 2-Chloroethanol tosylate
  • 2-Tosyloxyethyl chloride
  • β-Chloroethyl tosylate
  • 2-Chloro-1-(p-toluenesulfonyl)ethane
  • NSC 6079
  • Toluene-4-sulfonic acid 2-chloroethyl ester
  • p-Toluenesulfonic acid 2-chloroethyl ester
  • 2-Chloroethyl 4-methylbenzene-1-sulfonate

Work with 2-Chloroethyl P-toluenesulfonate

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

Ethylene glycol ditosylate6315-52-277 % similar 1,3-Propanediol ditosylate5469-66-972 % similar Triethylene glycol ditosylate19249-03-770 % similar 2,2′-Oxybis(ethyl tosylate)7460-82-470 % similar Propyl 4-methylbenzenesulfonate599-91-768 % similar 2-Methoxyethyl P-toluenesulfonate17178-10-866 % similar Butyl P-toluenesulfonate778-28-964 % similar Ethyl P-toluenesulfonate80-40-062 % similar

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

Elsewhere

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