Cyclopropanecarbonyl chloride

CAS Number: 4023-34-1

Molecular Formula: C4H5ClO

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About Cyclopropanecarbonyl chloride

Cyclopropanecarbonyl chloride (CAS 4023-34-1) is a vital building block in the U.S. API intermediates market, primarily utilized for the synthesis of cyclopropyl-containing pharmaceuticals such as certain protease inhibitors and cardiovascular agents where a Pharma/API purity of 99% is strictly required to ensure final...

Synonyms

Cyclopropanecarbonyl chloride
4023-34-1
Cyclopropanecarboxylic acid chloride
Cyclopropane carbonyl chloride
Cyclopropanoyl chloride

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Cyclopropanecarbonyl chloride Specifications

CAS Number

4023-34-1

Molecular Formula

C4H5ClO

Molecular Weight

104.53 g/mol

IUPAC Name

cyclopropanecarbonyl chloride

Canonical SMILES

C1CC1C(=O)Cl

InChI Key

ZOOSILUVXHVRJE-UHFFFAOYSA-N

InChI

InChI=1S/C4H5ClO/c5-4(6)3-1-2-3/h3H,1-2H2

EINECS Number

223-684-4

MDL Number

MFCD00001277

HSN No

29162000

CAS Number

4023-34-1

Molecular Formula

C4H5ClO

Molecular Weight

104.53 g/mol

IUPAC Name

cyclopropanecarbonyl chloride

Canonical SMILES

C1CC1C(=O)Cl

InChI Key

ZOOSILUVXHVRJE-UHFFFAOYSA-N

InChI

InChI=1S/C4H5ClO/c5-4(6)3-1-2-3/h3H,1-2H2

EINECS Number

223-684-4

MDL Number

MFCD00001277

HSN No

29162000

Molecular Weight

104.53 g/mol

Boiling Point

119 °C

Density

1.152 g/mL at 25 °C (lit.)

PSA

17.1 Å²

Average mass

104.53 g/mol

Monoisotopic mass

104.0028925 Da

Molar mass

104.53 g/mol

Pharmaceutical Intermediate

Cyclopropanecarbonyl chloride serves as a critical building block and chiral intermediate in the synthesis of complex active pharmaceutical ingredients, including those with unique pharmacokinetic properties like improved metabolic stability

Agrochemical Intermediate

This compound is widely utilized in the synthesis of various pesticides, herbicides, and fungicides, where the cyclopropane moiety can enhance bioactivity and environmental profiles

Organic Synthesis Reagent

It acts as a versatile acylating agent and alkylating reagent in the preparation of chemical building blocks such as formylcyclopropane, cyclopropanecarboxamide, and 1-cyclopropanecarboxamide for diverse synthetic applications.