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| | 2-Bromo-4'-nitroacetophenone Basic information |
| | 2-Bromo-4'-nitroacetophenone Chemical Properties |
| Melting point | 94-99 °C(lit.) | | Boiling point | 325.2±17.0 °C(Predicted) | | density | 1.8033 (rough estimate) | | refractive index | 1.6090 (estimate) | | storage temp. | under inert gas (nitrogen or Argon) at 2-8°C | | form | Crystalline Powder | | color | Yellow to orange | | BRN | 393567 | | InChI | InChI=1S/C8H6BrNO3/c9-5-8(11)6-1-3-7(4-2-6)10(12)13/h1-4H,5H2 | | InChIKey | MBUPVGIGAMCMBT-UHFFFAOYSA-N | | SMILES | C(=O)(C1=CC=C([N+]([O-])=O)C=C1)CBr | | CAS DataBase Reference | 99-81-0(CAS DataBase Reference) | | NIST Chemistry Reference | p-Nitrophenacyl bromide(99-81-0) | | EPA Substance Registry System | |
| Hazard Codes | C,Xi | | Risk Statements | 34-37 | | Safety Statements | 26-36/37/39-45 | | RIDADR | UN 3261 8/PG 2 | | WGK Germany | 3 | | F | 19 | | Hazard Note | Irritant | | TSCA | TSCA listed | | HazardClass | 8 | | PackingGroup | III | | HS Code | 29147000 | | Storage Class | 8A - Combustible corrosive hazardous materials | | Hazard Classifications | Skin Corr. 1B |
| | 2-Bromo-4'-nitroacetophenone Usage And Synthesis |
| Chemical Properties | yellow to orange crystalline powder | | Uses | 2-Bromo-4′-nitroacetophenone was used to study the pKa of the histidine-34 imidazole. | | Synthesis Reference(s) | Synthesis, p. 487, 1980 DOI: 10.1055/s-1980-29067 | | Synthesis | The general procedure for the synthesis of 2-bromo-4'-nitroacetophenone using the compound (CAS: 940-13-6) as starting material: haloalkynes (0.5 mmol), AgF (5 mol%), and water (1 eq.) were dissolved in trifluoroacetic acid (TFA, 1 mL), and the reaction was stirred for 6 hr at 40 °C. Upon completion of the reaction, TFA was recovered by distillation for reuse. The residue was purified by column chromatographic separation to afford the target product 2-bromo-4'-nitroacetophenone in pure form. | | Purification Methods | Crystallise it from *C6H6/pet ether. [Beilstein 7 IV 661.] | | References | [1] Tetrahedron Letters, 2014, vol. 55, # 7, p. 1373 - 1375
[2] Chinese Journal of Chemistry, 2016, vol. 34, # 12, p. 1251 - 1254
[3] Tetrahedron Letters, 2016, vol. 57, # 45, p. 4983 - 4986 |
| | 2-Bromo-4'-nitroacetophenone Preparation Products And Raw materials |
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