2,4-Dichloro-5-nitropyrimidine

The 2,4-dichloro-5-nitropyrimidine is an organic compound with the formula C₄HCl₂N₃O₂. The IUPAC name of this chemical is 2,4-dichloro-5-nitropyrimidine. With the CAS registry number 49845-33-2, it is also named as 3-Nitro-2,4-dichloropyrimidine. The product's categories are Pyrimidine Series; APIs & Intermediate; Pyrimidine; Pyridines, Pyrimidines, Purines and Pteredines; Pharmacetical; Pyrimidine Derivertives; Organohalides; Nucleotides and Nucleosides; Bases & Related Reagents; Nucleotides; Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks; Pyrimidines; Pyrimidines Heterocyclic Building Blocks. Besides, it is a yellow solid, which should be stored in a closed cool and dry place.

Physical properties about 2,4-dichloro-5-nitropyrimidine are: (1)ACD/LogP: 0.68; (2)ACD/LogD (pH 5.5): 0.68; (3)ACD/LogD (pH 7.4): 0.68; (4)ACD/BCF (pH 5.5): 1.93; (5)ACD/BCF (pH 7.4): 1.93; (6)ACD/KOC (pH 5.5): 55.63; (7)ACD/KOC (pH 7.4): 55.63; (8)#H bond acceptors: 5; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 71.6 Å²; (11)Index of Refraction: 1.611; (12)Molar Refractivity: 38.77 cm³; (13)Molar Volume: 111.6 cm³; (14)Polarizability: 15.37×10^-24cm³; (15)Surface Tension: 69.9 dyne/cm; (16)Density: 1.737 g/cm³; (17)Flash Point: 150.8 °C; (18)Enthalpy of Vaporization: 54.53 kJ/mol; (19)Boiling Point: 325.8 °C at 760 mmHg; (20)Vapour Pressure: 0.000428 mmHg at 25°C.

Preparation: this chemical can be prepared by 5-nitro-1H-pyrimidine-2,4-dione. This reaction will need reagent POCl₃ and N,N-diethylaniline. The reaction time is 3 hours by heating. The yield is about 61%.

Uses of 2,4-dichloro-5-nitropyrimidine: it can be used to produce 2-Chloro-4-hydroxy-5-nitro-pyrimidine, sodium salt at temperature of 10 - 15 °C. It will need reagent sodium acηte and solvent ethanol, acetic acid, H₂O with reaction time of 1 hour. The yield is about 94%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: c1c(c(nc(n1)Cl)Cl)[N+](=O)[O-]
(2)InChI: InChI=1/C4HCl2N3O2/c5-3-2(9(10)11)1-7-4(6)8-3/h1H
(3)InChIKey: INUSQTPGSHFGHM-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C4HCl2N3O2/c5-3-2(9(10)11)1-7-4(6)8-3/h1H
(5)Std. InChIKey: INUSQTPGSHFGHM-UHFFFAOYSA-N