468479

4-Pentenoyl chloride

98%

• Synonym(s): 4-Pentenoic acid chloride
• Linear Formula: H₂C=CHCH₂CH₂COCl
• CAS Number: 39716-58-0
• Molecular Weight: 118.56
• MDL number: MFCD00799572
• UNSPSC Code: 12352100
• PubChem Substance ID: 24870517
• NACRES: NA.22

Properties

• assay: 98%
• bp: 125 °C (lit.)
• density: 1.074 g/mL at 25 °C (lit.)
• functional group: acyl chloride; allyl
• SMILES string: ClC(=O)CCC=C
• InChI: 1S/C5H7ClO/c1-2-3-4-5(6)7/h2H,1,3-4H2
• InChI key: JDKQTIKEGOOXTJ-UHFFFAOYSA-N

Description

General description

4-Pentenoyl chloride has been identified as a key impurity in 5-chlorovaleroyl chloride (5-CVC). 4-Pentenoyl chloride can be synthesized by reacting thionyl chloride and 4-pentenoic acid.

Application

4-Pentenoyl chloride may be used in the preparation of:

• D-pro-L-derived cyclic peptides
• 4-pentenoylcobalt tricarbonyl
• N-4-pentenoyl-L-cysteine methyl ester

Safety Information

• pictograms: GHS02,GHS05
• signalword: Danger
• hcodes: H226,H314
• pcodes: P210 - P233 - P240 - P280 - P303 + P361 + P353 - P305 + P351 + P338
• Hazard Classifications: Flam. Liq. 3 - Skin Corr. 1B
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 1
• flash_point_f: 80.6 °F - closed cup
• flash_point_c: 27 °C - closed cup
• ppe: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter