2-Phenylbutyryl chloride
ALDRICH/349666 - 98%
CAS Number: 36854-57-6
Empirical Formula (Hill Notation): C10H11ClO
Molecular Weight: 182.65
EC Number: 253-241-0
MDL Number: MFCD00018811
Linear Formula: C2H5CH(C6H5)COCl
Product Type: Chemical
| assay | 98% |
| bp | 122-125 °C/20 mmHg (lit.) |
| density | 1.093 g/mL at 25 °C (lit.) |
| form | liquid |
| functional group | acyl chloride |
| phenyl | |
| InChI | 1S/C10H11ClO/c1-2-9(10(11 |
| InChI key | QGXMHCMPIAYMGT-UHFFFAOYSA |
| Quality Level | 100  |
| refractive index | n |
| SMILES string | CCC(C(Cl)=O)c1ccccc1 |
| 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. |
| 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-phe |
| Packaging: | 5 mL in glass bottle |
| Symbol |  GHS05 |
| Signal word | Danger |
| Hazard statements | H314 |
| Precautionary statements | P280 - P305 + P351 + P338 - P310 |
| Hazard Codes | C |
| Risk Statements | 34 |
| Safety Statements | 22-26-27-36/37/39-45 |
| RIDADR | UN 3265 8 / PGII |
| WGK Germany | WGK 3 |
| Flash Point(F) | 208.4 °F - closed cup |
| Flash Point(C) | 98 °C - closed cup |
| Purity | 98% |
| bp | 122-125 °C/20 mmHg (lit.) |
| Density | 1.093 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12352100 |