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4,6-Dichloro-5-nitropyrimidine

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Name

4,6-Dichloro-5-nitropyrimidine

EINECS 224-340-6
CAS No. 4316-93-2 Density 1.737 g/cm3
PSA 71.60000 LogP 2.21480
Solubility N/A Melting Point 100-103 °C(lit.)
Formula C4HCl2N3O2 Boiling Point 325.8 °C at 760 mmHg
Molecular Weight 193.977 Flash Point 150.8 °C
Transport Information N/A Appearance Yellow crystalline solid
Safety 26-36-45-36/37/39-7/9 Risk Codes 36/37/38-23/24/25
Molecular Structure Molecular Structure of 4316-93-2 (4,6-Dichloro-5-nitropyrimidine) Hazard Symbols IrritantXi, ToxicT
Synonyms

NSC 89693;4,6-Dichloro-5-Nitro-Pyrimidine;

Article Data 19

4,6-Dichloro-5-nitropyrimidine Synthetic route

2164-83-2

4,6-Dihydroxy-5-nitro-pyrimidine

4316-93-2

4,6-dichloro-5-nitropyrimidine

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine; trichlorophosphate at 6 - 100℃; for 5h; Temperature; Reagent/catalyst;97%
With N,N-dimethyl-aniline; trichlorophosphate for 2h; Heating;82%
With dmap; thionyl chloride; bis(trichloromethyl) carbonate for 14h; Reflux; Green chemistry;72%
1193-24-4

4,6-pyrimidinediol

4316-93-2

4,6-dichloro-5-nitropyrimidine

Conditions
ConditionsYield
With N,N-dimethyl-aniline; trichlorophosphate58%
63447-42-7

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

121-69-7

N,N-dimethyl-aniline

A

4316-93-2

4,6-dichloro-5-nitropyrimidine

B

54660-13-8

6-chloro-N-methyl-5-nitro-N-phenylpyrimidin-4-amine

Conditions
ConditionsYield
With trichlorophosphate
63447-42-7

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

4316-93-2

4,6-dichloro-5-nitropyrimidine

Conditions
ConditionsYield
With N,N-dimethyl-aniline; trichlorophosphate
2164-83-2

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

4316-93-2

4,6-dichloro-5-nitropyrimidine

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine; trichlorophosphate In toluene Reflux;
3137-56-2

6-chloro-5-nitro-pyrimidin-4-ol

4316-93-2

4,6-dichloro-5-nitropyrimidine

Conditions
ConditionsYield
With hydrogenchloride; triethylamine; trichlorophosphate
4316-93-2

4,6-dichloro-5-nitropyrimidine

103-49-1

dibenzylamine

882272-97-1

N,N-dibenzyl-6-chloro-5-nitropyrimidine-4-amine

Conditions
ConditionsYield
With triethylamine In dichloromethane at 0℃; for 2.5h; Inert atmosphere;100%
With N-ethyl-N,N-diisopropylamine In dichloromethane at 0 - 20℃; for 16h;90%
In dichloromethane at 0℃; for 1.5h;83.06%
4316-93-2

4,6-dichloro-5-nitropyrimidine

5413-85-4

5-amino-4,6-dichloropyridimine

Conditions
ConditionsYield
With tin(ll) chloride In ethanol for 1h; Heating;99%
With tin(ll) chloride In ethanol for 0.333333h; Heating;91%
With palladium 10% on activated carbon; hydrogen In ethyl acetate at 20℃; for 4h;86%
4316-93-2

4,6-dichloro-5-nitropyrimidine

6315-89-5

3,4-dimethoxyaniline

6-chloro-N-(3,4-dimethoxyphenyl)-5-nitropyrimidin-4-amine

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 60℃; for 8h;98.2%
4316-93-2

4,6-dichloro-5-nitropyrimidine

62-53-3

aniline

54706-01-3

5-nitro-N4,N6-diphenylpyrimidine-4,6-diamine

Conditions
ConditionsYield
With triethylamine In tetrahydrofuran at 20℃;98%

4,6-Dichloro-5-nitropyrimidine Chemical Properties

Molecular Structure of Pyrimidine, 4,6-dichloro-5-nitro- (CAS NO.4316-93-2):

IUPAC Name: 4,6-dichloro-5-nitropyrimidine 
Empirical Formula: C4HCl2N3O2
Molecular Weight: 193.98
H bond acceptors: 5
H bond donors: 0
Freely Rotating Bonds: 1
Polar Surface Area: 71.6 Å2
Index of Refraction: 1.611
Molar Refractivity: 38.77 cm3
Molar Volume: 111.6 cm3
Surface Tension: 69.9 dyne/cm
Density: 1.737 g/cm3
Flash Point: 150.8 °C
Enthalpy of Vaporization: 54.53 kJ/mol
Boiling Point: 325.8 °C at 760 mmHg
Vapour Pressure: 0.000428 mmHg at 25°C
EINECS: 224-340-6
Melting point: 100-103 °C(lit.)
Product Categories: APIs & Intermediate; Pyrimidine; Heterocycles; Pyrimidines; Nucleotides and Nucleosides; Bases & Related Reagents; Nucleotides; Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks; PyrimidinesHeterocyclic Building Blocks
InChI
InChI=1/C4HCl2N3O2/c5-3-2(9(10)11)4(6)8-1-7-3/h1H
Smiles
c1(c(ncnc1Cl)Cl)[N+](=O)[O-]

4,6-Dichloro-5-nitropyrimidine Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 28mg/kg (28mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#12158,

4,6-Dichloro-5-nitropyrimidine Safety Profile

Hazard Codes: IrritantXi,ToxicT
Risk Statements: 36/37/38-23/24/25
R36/37/38:Irritating to eyes, respiratory system and skin. 
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed.
Safety Statements: 26-36-45-36/37/39-7/9
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing. 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
S7:Keep container tightly closed. 
S9:Keep container in a well-ventilated place.
WGK Germany: 3
RTECS: UV8258000

4,6-Dichloro-5-nitropyrimidine Specification

  Pyrimidine, 4,6-dichloro-5-nitro- , with CAS number of 4316-93-2, can be called 4,6-Dichloro-5-nitropyrimidine ; 4,6-Dichlor-5-nitropyrimidin . It is a yellow crystalline solid.

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