structure of Ethyl 5-(chlorosulfonyl)-2-iodobenzoate

Ethyl 5-(chlorosulfonyl)-2-iodobenzoate

CAS No.: 1155911-38-8
M. Wt: 374.58
M. Fa: C9H8ClIO4S
InChI Key: VGCZWVUFKGULJG-UHFFFAOYSA-N

Names and Identifiers of Ethyl 5-(chlorosulfonyl)-2-iodobenzoate

CAS Number

1155911-38-8

MDL Number

MFCD12169505

IUPAC Name

ethyl 5-(chlorosulfonyl)-2-iodobenzoate

InChI

InChI=1S/C9H8ClIO4S/c1-2-15-9(12)7-5-6(16(10,13)14)3-4-8(7)11/h3-5H,2H2,1H3

InChIKey

VGCZWVUFKGULJG-UHFFFAOYSA-N

Canonical SMILES

CCOC(=O)C1=CC(S(=O)(=O)Cl)=CC=C1I

UNSPSC Code

12352100

Physical and chemical properties of Ethyl 5-(chlorosulfonyl)-2-iodobenzoate

Boiling Point

400.4±35.0 °C(Predicted)

Density

1.849±0.06 g/cm3(Predicted)

H Bond Acceptors

3

H Bond Donors

0

LogP

3.20877824133333

Molecular Formula

C9H8ClIO4S

Molecular Weight

374.58

Safety Information of Ethyl 5-(chlorosulfonyl)-2-iodobenzoate

Pictograms

Signal Word

 Warning

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Interaction Studies of Ethyl 5-(chlorosulfonyl)-2-iodobenzoate

Interaction studies involving ethyl 5-(chlorosulfonyl)-2-iodobenzoate focus on its reactivity with nucleophiles and other electrophiles. These studies are crucial for understanding its potential as a reagent in organic synthesis and its behavior in biological systems. The compound's interactions may also provide insights into its mechanism of action when used in medicinal chemistry.