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49845-33-2

Basic Information
CAS No.: 49845-33-2
Name: 2,4-Dichloro-5-nitropyrimidine
Article Data: 31
Molecular Structure:
Molecular Structure of 49845-33-2 (2,4-Dichloro-5-nitropyrimidine)
Formula: C4HCl2N3O2
Molecular Weight: 193.977
Synonyms: 2,4-dichloro-5-nitro-pyrimidine;
EINECS: 629-447-5
Density: 1.737 g/cm3
Melting Point: 28-32 °C
Boiling Point: 325.8 °C at 760 mmHg
Flash Point: 150.8 °C
Appearance: Yellow Solid
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 71.60000
LogP: 2.21480
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    2,4-Dichloro-5-nitropyrimidine 2,4-dichloro-5-nitro-pyrimidin; 2,4-dichloro-5-nitro-pyrrolidin; CAS No.: 49845-33-2 Molecular formula: C4HCl2N3O2 Molecular weight: 193.97600 Exact quality: 192.94500 PSA: 71.60000 LogP: 2.21480 Physica

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  • 2,4-Dichloro-5-nitropyrimidine CAS 49845-33-2

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    2,4-Dichloro-5-Nitropyrimidine

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Specification

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