4-Ethoxy-benzenesulfonyl chloride

C8H9ClO3SCAS 1132-17-8220.67 g/mol

Open in Covalent MOL file
OSOOCl
Ether

Properties

Molecular formula
C8H9ClO3S
Molar mass
220.67 g/mol
Exact mass
219.9961 Da
logP
2.01Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, P501

Identifiers

CAS number
1132-17-8
SMILES
CCOC1=CC=C(C=C1)S(=O)(=O)Cl
InChIKey
XIWSSFMVSKKXRJ-UHFFFAOYSA-N
InChI
InChI=1S/C8H9ClO3S/c1-2-12-7-3-5-8(6-4-7)13(9,10)11/h3-6H,2H2,1H3

Weigh it out

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Names and synonyms

1 names
  • 4-Ethoxybenzene-1-sulfonyl chloride

Work with 4-Ethoxy-benzenesulfonyl 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-Butoxybenzenesulfonyl chloride1138-56-371 % similar 4,4′-Oxybis[benzenesulfonyl chloride]121-63-160 % similar 4-Methoxybenzenesulfonyl chloride98-68-059 % similar 4-(Benzyloxy)benzene-1-sulfonyl chloride87001-32-958 % similar 1,4-Diethoxybenzene122-95-256 % similar 4-Ethylbenzene-1-sulfonyl chloride16712-69-955 % similar 4-Isopropoxybenzenesulfonyl chloride98995-40-554 % similar 4-N-Propylbenzenesulfonyl chloride146949-07-753 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-Methoxy-M-toluenesulfonyl chloride88040-86-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook