| Identification | More | [Name]
2-BROMOBENZAMIDE | [CAS]
4001-73-4 | [Synonyms]
2-BROMOBENZAMIDE
O-BROMOBENZAMIDE
Benzamide, 2-bromo-
Benzamide, o-bromo-
2-Bromobenzamide,98%
2-BROMOBENZAMIDE 98%
2-Bromobenzenecarboxamide | [EINECS(EC#)]
223-650-9 | [Molecular Formula]
C7H6BrNO | [MDL Number]
MFCD00007969 | [Molecular Weight]
200.03 | [MOL File]
4001-73-4.mol |
| Chemical Properties | Back Directory | [Appearance]
Beige powder | [Melting point ]
160-162 °C (lit.) | [Boiling point ]
158-161 °C(Press: 12 Torr) | [density ]
1.5488 (rough estimate) | [refractive index ]
1.5500 (estimate) | [storage temp. ]
Sealed in dry,Room Temperature | [form ]
Powder | [pka]
15.36±0.50(Predicted) | [color ]
Beige | [Water Solubility ]
Slightly soluble in water. | [InChI]
1S/C7H6BrNO/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H2,9,10) | [InChIKey]
NHNAEZDWNCRWRW-UHFFFAOYSA-N | [SMILES]
NC(=O)c1ccccc1Br | [CAS DataBase Reference]
4001-73-4(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection . | [WGK Germany ]
3
| [HS Code ]
29242990 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
Beige powder | [Uses]
2-Bromobenzamide has been used in:
- microwave assisted one-pot synthesis of substituted 3-(phenylmethylene)isoindolin-1-ones
- palladium-catalyzed synthesis of phenanthridinones
- synthesis of new water-soluble iminophosphorane ligand
| [Uses]
2-Bromobenzamide has been used in microwave assisted one-pot synthesis of substituted 3-(phenylmethylene)isoindolin-1-ones, palladium-catalyzed synthesis of phenanthridinones and in the synthesis of new water-soluble iminophosphorane ligand. | [Synthesis]
General procedure for the synthesis of 2-bromobenzamide from 2-bromobenzaldehyde oxime: In a 25 mL Schlenk reaction flask, 2-bromobenzaldehyde oxime (100 mg, 0.5 mmol) and water (1 mL) were added sequentially. Subsequently, [Cp*Ir(H2O)3][OTf] catalyst was added. The reaction mixture was stirred at 110 °C for 12 h and then cooled to room temperature. Water was removed by rotary evaporation and the product was purified by column chromatography. Yield: 80%. Product characterization data: 1H NMR (500 MHz, DMSO-d6) δ 7.88 (br s, 1H, NH2), 7.64-7.58 (m, 2H, ArH), 7.41-7.34 (m, 2H, ArH); 13C NMR (125 MHz, DMSO-d6) δ 169.0, 139.3, 132.7, 130.6, 128.5, 127.5, 118.6. | [References]
[1] RSC Advances, 2016, vol. 6, # 43, p. 37093 - 37098
[2] Advanced Synthesis and Catalysis, 2009, vol. 351, # 11-12, p. 1807 - 1812
[3] Catalysis Science and Technology, 2014, vol. 4, # 4, p. 988 - 996
[4] Patent: CN104418682, 2016, B. Location in patent: Paragraph 0070-0074
[5] Catalysis Communications, 2015, vol. 60, p. 120 - 123 |
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