349666

2-Phenylbutyryl chloride

98%

• Fórmula linear: C₂H₅CH(C₆H₅)COCl
• CAS Number: 36854-57-6
• Peso molecular: 182.65
• Número CE: 253-241-0
• Número MDL: MFCD00018811
• Código UNSPSC: 12352100
• ID de substância PubChem: 24861697
• NACRES: NA.22

Propriedades

• Nível de qualidade: 100
• Ensaio: 98%
• Formulário: liquid
• índice de refração: n20/D 1.516 (lit.)
• p.e.: 122-125 °C/20 mmHg (lit.)
• densidade: 1.093 g/mL at 25 °C (lit.)
• grupo funcional: acyl chloride; phenyl
• cadeia de caracteres SMILES: CCC(C(Cl)=O)c1ccccc1
• InChI: 1S/C10H11ClO/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3
• chave InChI: QGXMHCMPIAYMGT-UHFFFAOYSA-N

Descrição

Descrição geral

The kinetic resolution of racemic 2-phenylbutyryl chloride by sterically hindered chiral secondary alcohols has been evaluated. 2-Phenylbutyryl chloride reacts with 4-methoxybenzoyl chloride catalyzed by PdBr(Ph)(PPh₃)₂ to yield 1-(4-methoxyphenyl)-2-phenyl-2-buten-1-one.

Aplicação

(R)-(-)-2-phenylbutyryl chloride may be employed as chiral reagent for the determination of dopamine and dopamine-derived salsolinol and norsalsolinol in human brain by GC-MS method. Chiral (S)-(+)-2-phenylbutyryl chloride may be used as derivatization reagent for the hydroxyl groups during the GC-MS assay for the enantiomers of 1,2-propanediol, 1,3-butanediol, 1,3-pentanediol and their corresponding hydroxyacids in biological fluids.

Informações de segurança

• Pictogramas: GHS05
• Palavra indicadora: Danger
• Frases de perigo: H314
• Declarações de precaução: P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338 - P363 - P405
• Classificações de perigo: Skin Corr. 1B
• Código de classe de armazenamento: 8A - Combustible corrosive hazardous materials
• Classe de risco de água (WGK): WGK 3
• Ponto de fulgor (°F): 208.4 °F - closed cup
• Ponto de fulgor (°C): 98 °C - closed cup
• Equipamento de proteção individual: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter