Name | 3-(4-Chlorobenzoyl)propionic acid |
Synonyms | PARACHLOR AKOS 92467 AKOS BB-9559 TIMTEC-BB SBB003421 3-(4-CHLOROBENZOYL)PROPONIC ACID 3-(4-chlorobenzene)propionic acid 3-(4-Chlorobenzoyl)propionic acid 3-(4-CHLOROBENZOYL)PROPIONIC ACID 4-(4-chlorophenyl)-4-oxobutanoate 3-(4'-CHLOROBENZOYL)PROPIONIC ACID 4-(4-Chlorophenyl)-4-oxobutanoic acid |
CAS | 3984-34-7 |
EINECS | 223-627-3 |
InChI | InChI=1/C10H9ClO3/c11-8-3-1-7(2-4-8)9(12)5-6-10(13)14/h1-4H,5-6H2,(H,13,14)/p-1 |
Molecular Formula | C10H9ClO3 |
Molar Mass | 212.63 |
Density | 1.2781 (rough estimate) |
Melting Point | 128-130 °C (lit.) |
Boling Point | 305.28°C (rough estimate) |
Flash Point | 201°C |
Water Solubility | Insoluble |
Solubility | water: insoluble(lit.) |
Vapor Presure | 2.05E-07mmHg at 25°C |
Appearance | powder to crystal |
Color | White to Orange to Green |
BRN | 2104409 |
pKa | 4.44±0.17(Predicted) |
Storage Condition | Sealed in dry,Room Temperature |
Refractive Index | 1.5470 (estimate) |
Hazard Symbols | Xi - Irritant |
Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
Safety Description | S24/25 - Avoid contact with skin and eyes. S37 - Wear suitable gloves. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. |
WGK Germany | 3 |
HS Code | 29183000 |
Hazard Class | IRRITANT |
Use | 3-(4-chlorobenzoyl) propionic acid is an aryl chloride, in palladium-mediated Suzuki Miyaura and aryl boric acid The cross-coupling reaction was studied, involving nucleophilic N-heterocyclic carbene as an auxiliary ligand. |