349666

2-Phenylbutyryl chloride

98%

• Linear Formula: C₂H₅CH(C₆H₅)COCl
• CAS Number: 36854-57-6
• Molecular Weight: 182.65
• EC Number: 253-241-0
• MDL number: MFCD00018811
• UNSPSC 코드: 12352100
• PubChem Substance ID: 24861697
• NACRES: NA.22

속성

• 분석: 98%
• 양식: liquid
• refractive index: n20/D 1.516 (lit.)
• bp: 122-125 °C/20 mmHg (lit.)
• density: 1.093 g/mL at 25 °C (lit.)
• 작용기: acyl chloride; phenyl
• SMILES string: 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
• InChI key: QGXMHCMPIAYMGT-UHFFFAOYSA-N

설명

일반 설명

The kinetic resolution of racemic 2-phenylbutyryl chloride by sterically hindered chiral secondary alcohols has been evaluated.[1] 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.[2]

애플리케이션

(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.[3] 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.[4]

안전성 정보

• 픽토그램: GHS05
• 신호어: Danger
• 유해 및 위험 성명서: H314
• 예방조치 성명서: P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338 - P363 - P405
• Hazard Classifications: Skin Corr. 1B
• Storage Class Code: 8A - Combustible corrosive hazardous materials
• WGK: WGK 3
• Flash Point (°F): 208.4 °F - closed cup
• Flash Point (°C): 98 °C - closed cup
• 개인 보호 장비: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter