| Identification | More | [Name]
2-Chloro-5-nitropyrimidine | [CAS]
10320-42-0 | [Synonyms]
2-CHLORO-5-NITROPYRIDINE
2-CHLORO-5-NITROPYRIMIDINE
3-nitro-6-chloropyridine
CHLORO(2-)-5-NITROPYRIDINE
PYRIDINE, 2-CHLORO-5-NITRO-
PYRIMIDINE, 2-CHLORO-5-NITRO-
2-Chloro-5-nitropyrimidine 98%
2-Chloro-5-nitropyrimidine ,98% | [EINECS(EC#)]
224-908-3 | [Molecular Formula]
C4H2ClN3O2 | [MDL Number]
MFCD04117995 | [Molecular Weight]
159.53 | [MOL File]
10320-42-0.mol |
| Chemical Properties | Back Directory | [Melting point ]
105-110 °C | [Boiling point ]
345.4±15.0 °C(Predicted) | [density ]
1.600±0.06 g/cm3(Predicted) | [storage temp. ]
-20°C | [form ]
powder to crystal | [pka]
-4.60±0.22(Predicted) | [color ]
Light orange to Yellow to Green | [Detection Methods]
HPLC | [InChI]
InChI=1S/C4H2ClN3O2/c5-4-6-1-3(2-7-4)8(9)10/h1-2H | [InChIKey]
OFCBNMYNAHUDGE-UHFFFAOYSA-N | [SMILES]
C1(Cl)=NC=C([N+]([O-])=O)C=N1 | [CAS DataBase Reference]
10320-42-0(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:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection . | [RIDADR ]
UN 3335 | [WGK Germany ]
3
| [RTECS ]
US7175000
| [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
29335900 |
| Hazard Information | Back Directory | [Chemical Properties]
Light yellow solid | [Synthesis]
Example 1 Preparation of 2-chloro-5-nitropyrimidine: 5-nitropyrimidin-2-amine (0.98 g, 7 mmol, 1 eq.) was added to a solution of acetonitrile containing anhydrous copper(II) chloride (1.12 g, 8.4 mmol, 1.2 eq.), tert-butyl nitrite (1.24 mL, 10.5 mmol, 1.5 eq.), and MgSO4 (~300 mg) ( 40 mL) solution, and the reaction was stirred at 65-80 °C (bath temperature).After 30 min, the reaction mixture was cooled to room temperature and ether (100 mL) was added. The organic layer was separated and washed sequentially with aqueous 1N HCl (2 x 20 mL), H2O (50 mL) and brine (20 mL). The organic layer was dried over anhydrous Na2SO4 and concentrated under reduced pressure. The crude product was purified by column chromatography (eluent: hexane/ether=3:1) to afford the target product 2-chloro-5-nitropyrimidine as a light yellow solid (0.56 g, 50% yield). | [References]
[1] Patent: US2003/181465, 2003, A1 |
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