249440

Hydrocinnamoyl chloride

98%

• Synonym(s): 3-Phenylpropionyl chloride
• Linear Formula: C₆H₅CH₂CH₂COCl
• CAS Number: 645-45-4
• Molecular Weight: 168.62
• Beilstein/REAXYS Number: 742586
• EC Number: 211-443-6
• MDL number: MFCD00000748
• UNSPSC Code: 12352100
• PubChem Substance ID: 24854993
• NACRES: NA.22

Properties

• Quality Level: 100
• assay: 98%
• form: liquid
• refractive index: n20/D 1.5265 (lit.)
• bp: 107 °C/11 mmHg (lit.)
• mp: −7-−5 °C (lit.)
• density: 1.135 g/mL at 25 °C (lit.)
• functional group: acyl chloride; phenyl
• SMILES string: ClC(=O)CCc1ccccc1
• InChI: 1S/C9H9ClO/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2
• InChI key: MFEILWXBDBCWKF-UHFFFAOYSA-N

Description

General description

Reduction of hydrocinnamoyl chloride at mercury cathodes in acetonitrile containing tetraalkylammonium perchlorates has been investigated by cyclic voltammetry.

Application

Hydrocinnamoyl chloride has been used in:

• enantioselective synthesis of the antifouling agent, (+)-maculalactone A
• synthesis of hydrocinnamoyl-farnesyl-L-cysteine methyl ester

Safety Information

• pictograms: GHS06
• signalword: Danger
• hcodes: H315,H331,H412
• pcodes: P261 - P264 - P271 - P273 - P302 + P352 - P304 + P340 + P311
• Hazard Classifications: Acute Tox. 3 Inhalation - Aquatic Chronic 3 - Skin Irrit. 2
• Storage Class: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• wgk_germany: WGK 3
• ppe: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter