157147

Valeroyl chloride

98%

• Synonym(s): Pentanoic acid chloride, n-Butanecarbonyl chloride, n-Pentanoyl chloride, n-Valeryl chloride
• Linear Formula: CH₃(CH₂)₃COCl
• CAS Number: 638-29-9
• Molecular Weight: 120.58
• UNSPSC Code: 12352100
• NACRES: NA.22
• PubChem Substance ID: 24849658
• EC Number: 211-330-1
• Beilstein/REAXYS Number: 506293
• MDL number: MFCD00000757
• Assay: 98%
• Form: liquid

Properties

• Quality Segment: 100
• assay: 98%
• form: liquid
• refractive index: n20/D 1.42 (lit.)
• bp: 125-127 °C (lit.)
• density: 1.016 g/mL at 25 °C (lit.)
• functional group: acyl chloride
• SMILES string: CCCCC(Cl)=O
• InChI: 1S/C5H9ClO/c1-2-3-4-5(6)7/h2-4H2,1H3
• InChI key: XGISHOFUAFNYQF-UHFFFAOYSA-N

Description

Application

Valeroyl chloride was used in the enantioselective synthesis of propylisopropyl acetamide (PID), an amide analog of the major antiepileptic drug valproic acid. It was also used in the synthesis of (4R, 5S-4-methyl-3-(1-oxopentyl)-5-phenyl-oxazolidinone.

Safety Information

• pictograms: GHS02,GHS06,GHS05
• signalword: Danger
• hcodes: H226,H290,H314,H331,H412
• pcodes: P210 - P273 - P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 3 Inhalation - Aquatic Chronic 3 - Eye Dam. 1 - Flam. Liq. 3 - Met. Corr. 1 - Skin Corr. 1A
• Storage Class: 3 - Flammable liquids
• wgk: WGK 1
• flash_point_f: 89.6 °F - closed cup
• flash_point_c: 32 °C - closed cup
• ppe: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter