349666
2-Phenylbutyryl chloride
98%
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About This Item
Linear Formula:
C2H5CH(C6H5)COCl
CAS Number:
Molecular Weight:
182.65
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
253-241-0
MDL number:
Assay:
98%
Form:
liquid
Quality Segment
assay
98%
form
liquid
refractive index
n20/D 1.516 (lit.)
bp
122-125 °C/20 mmHg (lit.)
density
1.093 g/mL at 25 °C (lit.)
functional group
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
General description
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.
Application
(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.
signalword
Danger
hcodes
Hazard Classifications
Skin Corr. 1B
Storage Class
8A - Combustible corrosive hazardous materials
wgk
WGK 3
flash_point_f
208.4 °F - closed cup
flash_point_c
98 °C - closed cup
ppe
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
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