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EINECS 224-908-3
CAS No. 4548-45-2 Density 1.489 g/cm3
PSA 58.71000 LogP 2.16640
Solubility Solubility in hot methanol. Insoluble in water. Melting Point 106 °C
Formula C5H3ClN2O2 Boiling Point 256.6 °C at 760 mmHg
Molecular Weight 158.544 Flash Point 109 °C
Transport Information N/A Appearance white to light yellow crystal
Safety 26-36-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 4548-45-2 (2-Chloro-5-nitropyridine) Hazard Symbols IrritantXi

Pyridine, 2-chloro-5-nitro-;5-20-05-00452 (Beilstein Handbook Reference);Pyridine(2-Chloro-5-nitropyridine);2-chloro-5-methyl-pyridine;

Article Data 29

2-Chloro-5-nitropyridine Specification

The 2-chloro-5-nitro-pyridine with cas registry number of 4548-45-2 belongs to the categories in compounds of pyridine; blocks; Pyridines; Pyridine; Heterocycles; Pyridines, Pyrimidines, Purines and Pteredines; Pyridine series; Halides; Pyridines derivates; Chloropyridines; Halopyridines; C5Heterocyclic Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks; Chlorinated heterocyclic series. Its systematic name and IUPAC name are the same which is called 2-chloro-5-nitropyridine. Its EINECS registry number is 224-908-3 with appearance of white to light yellow crystal.

Physical properties about this chemical are: (1)ACD/LogP: 1.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.29; (4)ACD/LogD (pH 7.4): 1.29; (5)ACD/BCF (pH 5.5): 5.65; (6)ACD/BCF (pH 7.4): 5.65; (7)ACD/KOC (pH 5.5): 120.23; (8)ACD/KOC (pH 7.4): 120.23; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.587; (13)Molar Refractivity: 35.78 cm3; (14)Molar Volume: 106.4 cm3; (15)Surface Tension: 57.2 dyne/cm; (16)Density: 1.489 g/cm3; (17)Flash Point: 109 °C; (18)Enthalpy of Vaporization: 47.42 kJ/mol; (19)Boiling Point: 256.6 °C at 760 mmHg; (20)Vapour Pressure: 0.0245 mmHg at 25°C.

Preparation of 2-chloro-5-nitro-pyridine: it can be made by 5-nitro-pyridin-2-ol using reagents PCl5 and POCl3 under reaction temperature 110 ℃. The reaction time is 3 hours with tield of 89.1%.

Uses of 2-chloro-5-nitro-pyridine: this chemical can react with morpholine to give 4-(5-nitro-pyridin-2-yl)-morpholine using solvent Methanol under ambient temperature with reaction time 30s. The yield is 90%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. Wear suitable protective clothing, gloves and eye/face protection if you are using it. 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: c1cc(ncc1[N+](=O)[O-])Cl;
(2)InChI: InChI=1/C5H3ClN2O2/c6-5-2-1-4(3-7-5)8(9)10/h1-3H;

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 500mg/kg (500mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 6, Pg. 61, 1954.

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