4-Bromomethyl-3-nitrobenzoic acid
- CAS NO.：55715-03-2
- Empirical Formula: C8H6BrNO4
- Molecular Weight: 260.04
- MDL number: MFCD00216575
- EINECS: 205-516-1
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-11-07 13:31:19
What is 4-Bromomethyl-3-nitrobenzoic acid?
Chemical properties
pale yellow to pink crystalline powder
The Uses of 4-Bromomethyl-3-nitrobenzoic acid
4-Bromomethyl-3-nitrobenzoic acid is used as a reactant in the synthesis of 4-bromomethyl-3-nitrobenzoic acid succinimide ester, 4-((2-(hydroxymethyl)phenyl amino)methyl)-3-nitrobenzoic acid, 4-(2-hydroxyethylmercaptylmethyl)-3-nitrobenzoic acid. It is also used as a thiol photo-deprotection reagent, a starting material in the synthesis of 2H-indazole based library using parallel solution-phase methods.
The Uses of 4-Bromomethyl-3-nitrobenzoic acid
Photolabile Nbb handle employed in solid-phase peptide synthesis:
General Description
4-Bromomethyl-3-nitrobenzoic acid (BNBA) is a benzoic acid derivative. It has been synthesized by the nitration of 4-bromomethylbenzoic acid using fuming nitric acid. It participates in the synthesis of 3,4-dihydro-2(1H)-quinazolinones and 3,4-dihydro-1H-quinazolin-2-thiones.
Properties of 4-Bromomethyl-3-nitrobenzoic acid
| Melting point: | 127-130 °C (lit.) |
| Boiling point: | 392°C |
| Density | 1.814 |
| refractive index | 1.6500 (estimate) |
| Flash point: | 191°C |
| storage temp. | Keep in dark place,Sealed in dry,Room Temperature |
| solubility | DMF: soluble(lit.) |
| pka | 3.42±0.10(Predicted) |
| Water Solubility | Soluble in DMF and dichloromethane. Insoluble in water. |
| BRN | 1970939 |
| CAS DataBase Reference | 55715-03-2(CAS DataBase Reference) |
Safety information for 4-Bromomethyl-3-nitrobenzoic acid
| Signal word | Danger |
| Pictogram(s) |
 Corrosion Corrosives GHS05 |
| GHS Hazard Statements |
H314:Skin corrosion/irritation |
| Precautionary Statement Codes |
P260:Do not breathe dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P363:Wash contaminated clothing before reuse. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. 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 4-Bromomethyl-3-nitrobenzoic acid
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