4-Butoxybenzenesulfonyl chloride

C10H13ClO3SCAS 1138-56-3248.72 g/mol

Open in Covalent MOL file
OSOOCl
Ether

Properties

Molecular formula
C10H13ClO3S
Molar mass
248.72 g/mol
Exact mass
248.0274 Da
Boiling point
100 °C (at 10 Torr)
logP
2.79Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
5

Hazards

Danger
Corrosive (GHS05)

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P390, P405, P406, P501

Identifiers

CAS number
1138-56-3
SMILES
CCCCOc1ccc(S(=O)(=O)Cl)cc1
InChIKey
HGKWMUBXVMFXNC-UHFFFAOYSA-N
InChI
InChI=1S/C10H13ClO3S/c1-2-3-8-14-9-4-6-10(7-5-9)15(11,12)13/h4-7H,2-3,8H2,1H3

Weigh it out

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

Names and synonyms

7 names
  • Benzenesulfonyl chloride, 4-butoxy-
  • Benzenesulfonyl chloride, p-butoxy-
  • p-Butoxyphenylsulfonyl chloride
  • p-Butoxybenzenesulfonyl chloride
  • 4-n-Butoxybenzenesulfonyl chloride
  • 4-Butoxyphenylsulfonyl chloride
  • 4-Butoxybenzene-1-sulfonyl chloride

Work with 4-Butoxybenzenesulfonyl 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

4-Ethoxy-benzenesulfonyl chloride1132-17-871 % similar 4-N-Butylbenzenesulfonyl chloride54997-92-161 % similar 4-t-Amylbenzenesulphonyl chloride73948-18-259 % similar 4-N-Propylbenzenesulfonyl chloride146949-07-756 % similar 4,4′-Oxybis[benzenesulfonyl chloride]121-63-153 % similar 4-Methoxybenzenesulfonyl chloride98-68-053 % similar 4-(Benzyloxy)benzene-1-sulfonyl chloride87001-32-953 % similar Butyl phenyl ether1126-79-051 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Methoxy-2,3,6-trimethylbenzenesulfonyl chloride80745-07-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook