| Identification | More | [Name]
2-BROMO-5-CHLORO-3-NITROPYRIDINE | [CAS]
75806-86-9 | [Synonyms]
2-BROMO-5-CHLORO-3-NITROPYRIDINE
2-BROMO-3-NITRO-5-CHLOROPYRIDINE
5-Chloro-2-bromo-3-nitropyridine | [Molecular Formula]
C5H2BrClN2O2 | [MDL Number]
MFCD07368982 | [Molecular Weight]
237.44 | [MOL File]
75806-86-9.mol |
| Chemical Properties | Back Directory | [Melting point ]
75-78°C | [Boiling point ]
250.3±35.0 °C(Predicted) | [density ]
1.936±0.06 g/cm3(Predicted) | [storage temp. ]
under inert gas (nitrogen or Argon) at 2-8°C | [solubility ]
soluble in Methanol | [form ]
Solid | [pka]
-5.53±0.20(Predicted) | [color ]
Off-white | [InChI]
InChI=1S/C5H2BrClN2O2/c6-5-4(9(10)11)1-3(7)2-8-5/h1-2H | [InChIKey]
VFMIDVIAQMFGGP-UHFFFAOYSA-N | [SMILES]
C1(Br)=NC=C(Cl)C=C1[N+]([O-])=O | [CAS DataBase Reference]
75806-86-9(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 .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . | [WGK Germany ]
3 | [HazardClass ]
6.1 | [HazardClass ]
IRRITANT | [HS Code ]
2933399990 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Oral
Eye Dam. 1
Skin Irrit. 2 |
| Hazard Information | Back Directory | [Chemical Properties]
Hoar or pale yellow solid | [Synthesis]
To a solution of 2-Amino-5-chloro-3-nitropyridine (10.0 g, 57.6 mmol) in HBr [(31.0 mL (100%), 286.4 mmol)], sodium nitrite (13.8 g, 199.9 mmol) was added dropwise. To the stirred solution, Br2 (10.0 mL, 197.1 mmol)in water was added and stirred at room temperature for 1 h. The reaction mixture was basified with NaHCO3 solution (PH=7), extracted with ethyl acetate, washed with water, and dried over anhydrous Na2SO4. The solvent was removed under vacuum to yield 2-Bromo-5-chloro-3-nitropyridine (10.0 g, 73.0%) as a yellow solid. | [References]
[1] Patent: WO2014/202580, 2014, A1. Location in patent: Page/Page column 100
[2] Patent: WO2014/202528, 2014, A1. Location in patent: Page/Page column 97
[3] Synthetic Communications, 2012, vol. 42, # 19, p. 2791 - 2796
[4] Bioorganic and Medicinal Chemistry, 2001, vol. 9, # 8, p. 2061 - 2071
[5] Patent: US5801183, 1998, A |
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