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13162-43-1

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CAS No.: 13162-43-1
Name: Pyrimidine,4,6-dichloro-2-methyl-5-nitro-
Article Data: 17
Molecular Structure:
Molecular Structure of 13162-43-1 (Pyrimidine,4,6-dichloro-2-methyl-5-nitro-)
Formula: C5H3Cl2N3O2
Molecular Weight: 208.004
Synonyms: 2-Methyl-4,6-dichloro-5-nitropyrimidine;2-Methyl-5-nitro-4,6-dichloropyrimidine;
EINECS: 236-105-5
Density: 1.626 g/cm3
Boiling Point: 310.4 °C at 760 mmHg
Flash Point: 141.5 °C
PSA: 71.60000
LogP: 2.52320
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Synthetic route
53925-27-2

2-methyl-4,6-dihydroxy-5-nitropyrimidine

13162-43-1

4,6-dichloro-2-methyl-5-nitropyrimidine

Conditions
ConditionsYield
With triethylamine; trichlorophosphate for 4h; Reflux;82.6%
With N,N-diethylaniline; trichlorophosphate at 100 - 120℃; for 2h;77%
With N,N-diethylaniline; trichlorophosphate at 115℃; for 3h;57.7%
POCl3 (Aldrich Chemical Company)

POCl3 (Aldrich Chemical Company)

53925-27-2

2-methyl-4,6-dihydroxy-5-nitropyrimidine

13162-43-1

4,6-dichloro-2-methyl-5-nitropyrimidine

Conditions
ConditionsYield
With trichlorophosphate In n-heptane; toluene49%
680881-02-1

2-methyl-5-nitro-1H-pyrimidine-4,6-dione

13162-43-1

4,6-dichloro-2-methyl-5-nitropyrimidine

Conditions
ConditionsYield
With hydrogenchloride; trichlorophosphate
With N,N-dimethyl-aniline; trichlorophosphate
With N,N-diethylaniline; trichlorophosphate
1194-22-5

2-methyl-4,6-dihydroxypyrimidine

13162-43-1

4,6-dichloro-2-methyl-5-nitropyrimidine

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 68 percent / TFA; 90percent aq. HNO3 / 12 h / 20 °C
2: 49 percent / POCl3; diisopropylethylamine / toluene / 3 h / Heating
View Scheme
Multi-step reaction with 2 steps
1: nitric acid; trifluoroacetic acid / water
2: trichlorophosphate / n-heptane; toluene
View Scheme
Multi-step reaction with 2 steps
1: nitric acid; acetic acid / 2 h / 0 °C
2: trichlorophosphate; N,N-diethylaniline / 3 h / 115 °C
View Scheme
Multi-step reaction with 2 steps
1: nitric acid / 2 h / 20 °C
2: trichlorophosphate / N,N-dimethyl-aniline / 2.5 h / Heating / reflux
View Scheme
40497-30-1

2-methyl-1H-pyrimidine-4,6-dione

13162-43-1

4,6-dichloro-2-methyl-5-nitropyrimidine

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: acetic acid; HNO3
2: N,N-diethyl-aniline; POCl3
View Scheme
Multi-step reaction with 2 steps
1: acetic acid; HNO3
2: concentrated aqueous HCl; POCl3
View Scheme

6-hydroxy-2-methyl-5-nitropyrimidine-4(3H)-one

13162-43-1

4,6-dichloro-2-methyl-5-nitropyrimidine

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine; trichlorophosphate In toluene Reflux;
1194-22-5

6-hydroxy-2-methyl-5,6-dihydropyrimidin-4(3H)-one

13162-43-1

4,6-dichloro-2-methyl-5-nitropyrimidine

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: nitric acid; trifluoroacetic acid / water / 20 °C
2: trichlorophosphate; N-ethyl-N,N-diisopropylamine / toluene / Reflux
View Scheme
53925-27-2

2-methyl-4,6-dihydroxy-5-nitropyrimidine

13162-43-1

4,6-dichloro-2-methyl-5-nitropyrimidine

Conditions
ConditionsYield
With trichlorophosphate In N,N-dimethyl-aniline for 2.5h; Heating / reflux;21.51 g
82779-50-8

4,6-dichloro-2-methyl-5-nitropyrimidine

13162-43-1

4,6-dichloro-2-methyl-5-nitropyrimidine

Conditions
ConditionsYield
With hydrogenchloride; triethylamine; trichlorophosphate
17551-52-9

2-methyl-4-hydroxy-6-chloropyrimidine

13162-43-1

4,6-dichloro-2-methyl-5-nitropyrimidine

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: nitric acid; sulfuric acid
2: trichlorophosphate; triethylamine; hydrogenchloride
View Scheme
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Chemistry

Molecular Structure of 4,6-Dichloro-2-methyl-5-nitropyrimidine (CAS NO.13162-43-1):

IUPAC Name: 4,6-dichloro-2-methyl-5-nitropyrimidine 
Empirical Formula: C5H3Cl2N3O2
Molecular Weight: 208.0022
EINECS: 236-105-5
H bond acceptors: 5
H bond donors: 0
Freely Rotating Bonds: 1
Polar Surface Area: 71.6 Å2
Index of Refraction: 1.597
Molar Refractivity: 43.59 cm3
Molar Volume: 127.8 cm3
Surface Tension: 63 dyne/cm
Density: 1.626 g/cm3
Flash Point: 141.5 °C
Enthalpy of Vaporization: 52.92 kJ/mol
Boiling Point: 310.4 °C at 760 mmHg
Vapour Pressure: 0.0011 mmHg at 25°C
InChI
InChI=1/C5H3Cl2N3O2/c1-2-8-4(6)3(10(11)12)5(7)9-2/h1H3
Smiles
O=[N+]([O-])c1c(nc(nc1Cl)C)Cl

Specification

  4,6-Dichloro-2-methyl-5-nitropyrimidine , with CAS number of 13162-43-1, can be called pyrimidine, 4,6-dichloro-2-methyl-5-nitro- ; 4,6-Dichloro-2-Methyl-5-Nitro Pyrimidine ; 4,6-Dichloro-2-methyl-5-nitro-pyrimidine ; 4,6-Dichlor-2-methyl-5-nitropyrimidin .