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| | 4-Bromomethyl-3-nitrobenzoic acid Basic information |
| | 4-Bromomethyl-3-nitrobenzoic acid Chemical Properties |
| Melting point | 127-130 °C (lit.) | | Boiling point | 392°C | | density | 1.814 | | refractive index | 1.6500 (estimate) | | Fp | 191°C | | storage temp. | Keep in dark place,Sealed in dry,Room Temperature | | solubility | DMF: soluble(lit.) | | pka | 3.42±0.10(Predicted) | | form | solid | | Water Solubility | Soluble in DMF and dichloromethane. Insoluble in water. | | BRN | 1970939 | | InChI | 1S/C8H6BrNO4/c9-4-6-2-1-5(8(11)12)3-7(6)10(13)14/h1-3H,4H2,(H,11,12) | | InChIKey | QMAHVAFURJBOFV-UHFFFAOYSA-N | | SMILES | OC(=O)c1ccc(CBr)c(c1)[N+]([O-])=O | | CAS DataBase Reference | 55715-03-2(CAS DataBase Reference) |
| Hazard Codes | C | | Risk Statements | 34 | | Safety Statements | 26-36/37/39-45-25 | | RIDADR | UN 3261 8/PG 2 | | WGK Germany | 3 | | F | 19 | | HazardClass | 8 | | PackingGroup | III | | HS Code | 29163990 | | Storage Class | 8A - Combustible corrosive hazardous materials | | Hazard Classifications | Skin Corr. 1B |
| | 4-Bromomethyl-3-nitrobenzoic acid Usage And Synthesis |
| Chemical Properties | pale yellow to pink crystalline powder | | Uses | Photolabile Nbb handle employed in solid-phase peptide synthesis: | | Uses | 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. | | 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. |
| | 4-Bromomethyl-3-nitrobenzoic acid Preparation Products And Raw materials |
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