structure of Cyclopropanecarboxylic acid, chloromethyl ester

Cyclopropanecarboxylic acid, chloromethyl ester

CAS No.: 100108-45-0
M. Wt: 134.56100
M. Fa: C5H7ClO2
InChI Key: IXIYAEZKKVCJFK-UHFFFAOYSA-N
Appearance: Colorless To Light Yellow Liquid

Names and Identifiers of 100108-45-0

CAS Number

100108-45-0

MDL Number

MFCD19233969

IUPAC Name

chloromethyl cyclopropanecarboxylate

InChI

InChI=1S/C5H7ClO2/c6-3-8-5(7)4-1-2-4/h4H,1-3H2

InChIKey

IXIYAEZKKVCJFK-UHFFFAOYSA-N

Canonical SMILES

O=C(OCCl)C1CC1

Physical and chemical properties of 100108-45-0

Exact Mass

134.01300

H Bond Acceptors

1

H Bond Donors

0

LogP

1.13590

Molecular Formula

C5H7ClO2

Molecular Weight

134.56100

PSA

26.30000

Safety Information of 100108-45-0

Pictograms

Signal Word

 Danger

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

Applications of 100108-45-0

Chloromethyl cyclopropanecarboxylate serves as a versatile intermediate in organic synthesis. Its unique structure allows it to be utilized in the production of various pharmaceuticals, agrochemicals, and other fine chemicals. The compound's ability to participate in substitution reactions makes it valuable for creating more complex molecular architectures.

Interaction Studies of 100108-45-0

Studies have indicated that chloromethyl cyclopropanecarboxylate interacts with various biomolecules, influencing their function. These interactions may include covalent bonding with nucleophilic sites on target molecules and participation in hydrogen bonding due to its carboxylic acid group. Such interactions are crucial for understanding the compound's biological activity and potential therapeutic applications.

Physical sample testing spectrum (NMR) of 100108-45-0

Physical sample testing spectrum (NMR) of 100108-45-0