Phenylacetic acid
ALDRICH/P16621 - 99%
Synonym: α-Toluic acid; α-Tolylic acid; Benzeneacetic acid; PAA
CAS Number: 103-82-2
Empirical Formula (Hill Notation): C8H8O2
Molecular Weight: 136.15
EC Number: 203-148-6
MDL Number: MFCD00004313
Linear Formula: C6H5CH2CO2H
Product Type: Chemical
assay | 99% |
bp | 265 °C (lit.) |
density | 1.081 g/mL at 25 °C (lit.) |
form | crystals |
InChI | 1S/C8H8O2/c9-8(10)6-7-4-2 |
InChI key | WLJVXDMOQOGPHL-UHFFFAOYSA |
mp | 76-78 °C (lit.) |
SMILES string | OC(=O)Cc1ccccc1 |
vapor density | ~4 (vs air) |
vapor pressure | 1 mmHg ( 97 °C) |
Application: | • Phenylacetic acid can be used to synthesize a variety of phenyl substituted compounds by Pd (II)-catalyzed C-H activation/aryl-aryl coupling reaction. • It can be employed in the preparation of Mn16 single-molecule magnets by reductive aggregation route. • It can be used as a precursor to synthesize chromones, isoflavones, and homoisoflavones. • It can also be used as a key precursor in the synthesis of emethallicin E and (−)-incarviatone A. |
Packaging: | 100, 500 g in poly bottle |
Packaging: | 5 g in glass bottle |
Symbol | GHS07 |
Signal word | Warning |
Hazard statements | H319 |
Precautionary statements | P305 + P351 + P338 |
Hazard Codes | Xi |
Risk Statements | 36/37/38 |
Safety Statements | 26-36 |
RIDADR | UN 3335 |
WGK Germany | WGK 1 |
Flash Point(F) | 269.6 °F |
Flash Point(C) | 132 °C |
Purity | 99% |
bp | 265 °C (lit.) |
mp | 76-78 °C (lit.) |
Density | 1.081 g/mL at 25 °C (lit.) |
UNSPSC | 12352100 |