2,3-Dihydrobenzofuran-5-sulfonyl Chloride

C8H7ClO3SCAS 115010-11-2218.65 g/mol

Open in Covalent MOL file
OSOOCl
Ether

Properties

Molecular formula
C8H7ClO3S
Molar mass
218.65 g/mol
Exact mass
217.9804 Da
logP
1.55Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)

Aggregated from 3 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
115010-11-2
SMILES
C1COC2=C1C=C(C=C2)S(=O)(=O)Cl
InChIKey
RVWYPBARHGPULM-UHFFFAOYSA-N
InChI
InChI=1S/C8H7ClO3S/c9-13(10,11)7-1-2-8-6(5-7)3-4-12-8/h1-2,5H,3-4H2

Weigh it out

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

Names and synonyms

1 names
  • 2,3-Dihydro-1-benzofuran-5-sulfonyl chloride

Work with 2,3-Dihydrobenzofuran-5-sulfonyl 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

2,3-Dihydro-1,4-benzodioxine-6-sulfonyl chloride63758-12-368 % similar 3,4-Dimethoxybenzenesulfonyl chloride23095-31-050 % similar 5-Bromo-2,3-dihydro-1-benzofuran66826-78-647 % similar 2,3-Dihydro-1-benzofuran-5-carbonyl chloride55745-71-646 % similar 4-Ethoxy-benzenesulfonyl chloride1132-17-846 % similar 2,3-Dihydrobenzofuran-5-carboxaldehyde55745-70-546 % similar 5-Fluoro-2,3-dihydrobenzofuran245762-35-046 % similar 2,3-Dihydro-1-benzofuran-5-amine42933-43-746 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Acetylbenzenesulfonyl chloride1788-10-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook