HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-CHLORO-4-PYRROL-1-YL-BENZOIC ACID
ASINEX-REAG BAS 12382128 · 2-CHLORO-4-PYRROL-1-YL-BENZOIC ACID · 2-Chloro-4-(1H-pyrrol-1-yl)benzoic acid · Benzoic acid, 2-chloro-4-(1H-pyrrol-1-yl)-
Identifiers & Physical Properties
| CAS No. | 232275-65-9 |
|---|---|
| Molecular formula | C11H8ClNO2 |
| Average molar mass | 221.64 g/mol |
| SMILES | O=C(O)c1ccc(-n2cccc2)cc1Cl |
| InChIKey | WXGHISMCEZMVAG-UHFFFAOYSA-N |
Chemical & Physical Properties
| Boiling point | 381.7±32.0 °C(Predicted) |
|---|---|
| Density | 1.32±0.1 g/cm3(Predicted) |
| pKa (acidity coefficient) | 2.51±0.25(Predicted) |
| Hazard symbols | Xi |
| Hazard class | IRRITANT |
Safety & Regulations
| Hazard symbols | Xi |
|---|---|
| Hazard class | IRRITANT |
Applications & Uses
Uses
2-Chloro-4-pyrrol-1-yl-benzoic Acid (CAS# 232275-65-9) can be used as a reactant to synthesize thiazepine derivatives, which act as 11β-HSD1 inhibitors. This chemical compound also can be used for preparation of phenylalanine analogs that possess pharmaceutical activity and can be potentially be used for treatment of integrin α4-mediated cell adhesion.