| Identification | More | [Name]
2,3-DICHLORO-5-NITROPYRIDINE | [CAS]
22353-40-8 | [Synonyms]
2,3-DICHLORO-5-NITROPYRIDINE
2,3-Dichloro-5-nitropyridine ,97% | [EINECS(EC#)]
200-258-5 | [Molecular Formula]
C5H2Cl2N2O2 | [MDL Number]
MFCD03840432 | [Molecular Weight]
192.99 | [MOL File]
22353-40-8.mol |
| Chemical Properties | Back Directory | [Appearance]
Light yellow Cryst | [Melting point ]
51-56℃ | [Boiling point ]
256°C(lit.) | [density ]
1.629±0.06 g/cm3(Predicted) | [Fp ]
>110°C | [storage temp. ]
Inert atmosphere,2-8°C | [solubility ]
soluble in Methanol | [form ]
powder to crystal | [pka]
-4.99±0.10(Predicted) | [color ]
White to Light yellow | [Detection Methods]
HPLC,NMR | [InChI]
InChI=1S/C5H2Cl2N2O2/c6-4-1-3(9(10)11)2-8-5(4)7/h1-2H | [InChIKey]
XLPDVAVQKGDHNO-UHFFFAOYSA-N | [SMILES]
C1(Cl)=NC=C([N+]([O-])=O)C=C1Cl | [CAS DataBase Reference]
22353-40-8(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R43:May cause sensitization by skin contact. | [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 . | [RIDADR ]
UN 2811 6.1/PG 3 | [WGK Germany ]
1 | [HazardClass ]
IRRITANT | [PackingGroup ]
Ⅲ | [HS Code ]
29333990 |
| Hazard Information | Back Directory | [Chemical Properties]
Light yellow Cryst | [Synthesis]
Quinoline (48.5 mL, 0.41 mol) was slowly added to phosphorous trichloride (164.0 mL, 1.75 mol) at 0 °C and under nitrogen protection. Subsequently, 5-nitro-2-hydroxy-3-chloropyridine (204 mg, 1.17 mmol) was added to this stirred mixture. The reaction mixture was heated to 120 °C and maintained for 2 hours. After completion of the reaction, it was cooled to 0 °C and the reaction was quenched by the addition of ice water. The precipitate was collected by filtration, washed with plenty of water and dried to give 2,3-dichloro-5-nitropyridine. Yield: 220 g (97%). Melting point: 53 °C. 1H NMR (300 MHz, DMSO-d6): δ 9.16 (d, 1H, J = 2.4 Hz), 8.94 (d, 1H, J = 2.4 Hz). 13C NMR (300 MHz, DMSO-d6): δ 158.69, 137.36, 132.51, 130.13, 124.39. mass spectra ( electrospray ionization): m/z 193 ([M+H]+). | [References]
[1] Synthesis, 1990, # 6, p. 499 - 501
[2] European Journal of Medicinal Chemistry, 2012, vol. 58, p. 355 - 360
[3] Patent: WO2013/117963, 2013, A1. Location in patent: Page/Page column 21
[4] Patent: WO2014/207508, 2014, A1. Location in patent: Page/Page column 55
[5] Roczniki Chemii, 1968, vol. 42, p. 2079,2084 |
|
|