4-Bromomethylbenzoic acid
Synonym(s):α-Bromo-p-toluic acid;α-Bromo-p-toluylic acid;4-(Bromomethyl)benzoic acid
- CAS NO.：6232-88-8
- Empirical Formula: C8H7BrO2
- Molecular Weight: 215.04
- MDL number: MFCD00002567
- EINECS: 228-343-3
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-11-12 15:22:20
What is 4-Bromomethylbenzoic acid?
Chemical properties
white to beige crystalline powder
The Uses of 4-Bromomethylbenzoic acid
4-(Bromomethyl)benzoic acid was used in the chemical modification of 5,10,15,20-tetra(m-hydroxyphenyl)chlorin (temoporfin), second generation photosensitizer. It was also used in the synthesis of 4-(5-arylidene-2,4-dioxothiazolidin-3-yl) methylbenzoic acids.
The Uses of 4-Bromomethylbenzoic acid
4-(Bromomethyl)benzoic Acid is an intermediate in the synthesis of Eprosartan (E590100), a prototype of the imidazoleacrylic acid angiotensin II receptor antagonists used as an antihypertensive agent.
The Uses of 4-Bromomethylbenzoic acid
4-(Bromomethyl)benzoic acid acts as an intermediate in the synthesis of eprosartan, which is used as an antihypertensive agent. Further, it is used in the preparation of 5,10,15,20-tetra(m-hydroxyphenyl)chlorin (temoporfin), which is a second generation photosensitizer. In addition to this, it is used in the preparation of 4-(5-arylidene-2,4-dioxothiazolidin-3-yl) methylbenzoic acids.
Purification Methods
Crystallise the acid from pKEst Me2CO. [Beilstein 9 IV 1745.]
Properties of 4-Bromomethylbenzoic acid
| Melting point: | 224-229 °C(lit.) |
| Boiling point: | 252.95°C (rough estimate) |
| Density | 1.5313 (rough estimate) |
| refractive index | 1.5500 (estimate) |
| storage temp. | Store below +30°C. |
| pka | 4.10±0.10(Predicted) |
| form | Crystalline Powder |
| color | White to beige |
| Water Solubility | Soluble in water. |
| BRN | 1862870 |
| CAS DataBase Reference | 6232-88-8(CAS DataBase Reference) |
| EPA Substance Registry System | Benzoic acid, 4-(bromomethyl)- (6232-88-8) |
Safety information for 4-Bromomethylbenzoic acid
| Signal word | Warning |
| Pictogram(s) |
 Corrosion Corrosives GHS05  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H314:Skin corrosion/irritation H315:Skin corrosion/irritation H318:Serious eye damage/eye irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P260:Do not breathe dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P309:IF exposed or if you feel unwell: P310:Immediately call a POISON CENTER or doctor/physician. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up. P501:Dispose of contents/container to..… |
Computed Descriptors for 4-Bromomethylbenzoic acid
| InChIKey | CQQSQBRPAJSTFB-UHFFFAOYSA-N |
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