5-Bromo-2-chlorobenzoic acid
- CAS NO.：21739-92-4
- Empirical Formula: C7H4BrClO2
- Molecular Weight: 235.46
- MDL number: MFCD00002415
- EINECS: 244-558-5
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-11-20 15:18:15
What is 5-Bromo-2-chlorobenzoic acid ?
Chemical properties
white to light yellow crystal powder
The Uses of 5-Bromo-2-chlorobenzoic acid
5-Bromo-2-chlorobenzoic acid was used to evaluate the homogeneity of organic powder. It can be used to produce 2-chloro-5-deuteriobenzoic acid.
Description
The 5-bromo-2-chlorobenzoic acid is a common key intermediate for synthesizing a novel antidiabetic SGLT-2 inhibitor, which is a new-generation diabetes drug that controls blood sugar by inhibiting the reabsorption of glucose in the kidney.
Properties of 5-Bromo-2-chlorobenzoic acid
| Melting point: | 154-156 °C (lit.) |
| Boiling point: | 324.5±27.0 °C(Predicted) |
| Density | 1.7312 (rough estimate) |
| refractive index | 1.5590 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | 2.63g/l |
| form | Solid |
| pka | 2.49±0.25(Predicted) |
| color | Off white colored powder |
| Water Solubility | Soluble in water 2.63 g/L @20°C. |
| BRN | 2691432 |
| InChI | InChI=1S/C7H4BrClO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11) |
| CAS DataBase Reference | 21739-92-4(CAS DataBase Reference) |
| NIST Chemistry Reference | 5-Bromo-2-chlorobenzoic acid(21739-92-4) |
| EPA Substance Registry System | Benzoic acid, 5-bromo-2-chloro- (21739-92-4) |
Safety information for 5-Bromo-2-chlorobenzoic acid
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 5-Bromo-2-chlorobenzoic acid
| InChIKey | FGERXQWKKIVFQG-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C1=CC(Br)=CC=C1Cl |
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