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2-Amino-4-chloropyrimidine

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Name

2-Amino-4-chloropyrimidine

EINECS N/A
CAS No. 3993-78-0 Density 1.437g/cm3
PSA 51.80000 LogP 1.29340
Solubility N/A Melting Point 155-160 °C (dec.)
Formula C4H4ClN3 Boiling Point 314.609 °C at 760 mmHg
Molecular Weight 129.549 Flash Point 144.07 °C
Transport Information N/A Appearance White solid
Safety 26-36/37/39-36/39 Risk Codes 36/37/38-41-37/38-22
Molecular Structure Molecular Structure of 3993-78-0 (2-Amino-4-chloropyrimidine) Hazard Symbols HarmfulXn, IrritantXi
Synonyms

Pyrimidine,2-amino-4-chloro- (6CI,7CI,8CI);(4-Chloropyrimidin-2-yl)amine;4-Chloro-2-pyrimidinamine;NSC 10872;NSC 25184;2-Amino-4-chloridepyrimidine;

Article Data 27

2-Amino-4-chloropyrimidine Synthetic route

97229-11-3

4-chloro-2-methanesulfonylpyrimidine

3993-78-0

2-amino-4-chloropyrimidine

Conditions
ConditionsYield
With aq. NH3 In isopropyl alcohol100%
108-53-2

2-amino-4-hydroxypyrimidine

3993-78-0

2-amino-4-chloropyrimidine

Conditions
ConditionsYield
With pyridine; trichlorophosphate at 180℃; under 150.015 - 900.09 Torr; for 2h; Neat (no solvent);95%
With trichlorophosphate for 1.5h; Heating;52%
108-53-2

isocytosine

3993-78-0

2-amino-4-chloropyrimidine

Conditions
ConditionsYield
Stage #1: isocytosine With chlorosulfonic acid; trichlorophosphate at 20 - 95℃; Inert atmosphere;
Stage #2: With ammonium hydroxide In water at 20℃; pH=~ 7; Cooling wit ice;
92%
Stage #1: isocytosine With trichlorophosphate for 1.5h; Reflux;
Stage #2: With sodium carbonate In water pH=9; Cooling with ice;
52%
108-53-2

isocytosine

3993-78-0

2-amino-4-chloropyrimidine

Conditions
ConditionsYield
With chlorosulfonic acid; trichlorophosphate at -5 - 90℃; for 5h; Inert atmosphere;73%
3934-20-1

2,6-Dichloropyrimidine

A

7461-50-9

2-chloropyrimidin-4-amine

B

3993-78-0

2-amino-4-chloropyrimidine

Conditions
ConditionsYield
With ammonium hydroxide In water at 20℃;A 69%
B 23%
With ammonium hydroxide at 20℃; for 5h;A 59%
B 37%
With ammonium hydroxide In water at 20℃; for 5h;A 59%
B 37%
3934-20-1

2,6-Dichloropyrimidine

3993-78-0

2-amino-4-chloropyrimidine

Conditions
ConditionsYield
With ammonia; water
With ammonium hydroxide at 20℃; for 16h;
2-amino-3H-pyrimidin-2-one

2-amino-3H-pyrimidin-2-one

3993-78-0

2-amino-4-chloropyrimidine

Conditions
ConditionsYield
With sulfuric acid; trichlorophosphate
With chlorosulphuric acid; trichlorophosphate
4-oxy-2-amino-pyrimidine

4-oxy-2-amino-pyrimidine

3993-78-0

2-amino-4-chloropyrimidine

Conditions
ConditionsYield
With trichlorophosphate
3934-20-1

2,6-Dichloropyrimidine

7664-41-7

ammonia

A

7461-50-9

2-chloropyrimidin-4-amine

B

3993-78-0

2-amino-4-chloropyrimidine

Conditions
ConditionsYield
at 100℃;

2-nitro-3H-4-chloropyrimidine

3993-78-0

2-amino-4-chloropyrimidine

Conditions
ConditionsYield
With ammonia51.3 g

2-Amino-4-chloropyrimidine Chemical Properties

Empirical Formula: C4H4ClN3
Molecular Weight: 129.5477
Nominal Mass: 129 Da
Average Mass: 129.5477 Da
Monoisotopic Mass: 129.009375 Da 
Index of Refraction: 1.617
Molar Refractivity: 31.56 cm3
Molar Volume: 90.1 cm3
Surface Tension: 66.4 dyne/cm
Density: 1.437 g/cm3
Flash Point: 144.1 °C
Enthalpy of Vaporization: 55.58 kJ/mol
Boiling Point: 314.6 °C at 760 mmHg
Vapour Pressure: 0.000461 mmHg at 25 °C 
Melting Point: 155-160 °C (dec.)
Appearance: White solid
Structure of 2-Amino-4-chloropyrimidine (CAS NO.3993-78-0):
                            
IUPAC Name: 4-Chloropyrimidin-2-amine
Canonical SMILES: C1=CN=C(N=C1Cl)N
InChI: InChI=1S/C4H4ClN3/c5-3-1-2-7-4(6)8-3/h1-2H,(H2,6,7,8)
InChIKey: DBGFGNCFYUNXLD-UHFFFAOYSA-N
Product Category of 2-Amino-4-chloropyrimidine (CAS NO.3993-78-0): APIs & Intermediate;Pyridines, Pyrimidines, Purines and Pteredines;Amines;Bases & Related Reagents;Heterocycles;Nucleotides;Pyrazines, Pyrimidines & Pyridazines;Halogenated Heterocycles;Heterocyclic Building Blocks

2-Amino-4-chloropyrimidine Uses

 2-Amino-4-chloropyrimidine (CAS NO.3993-78-0) is usually used for the synthesis of pesticides such as Chlorimuron-ethyl.

2-Amino-4-chloropyrimidine Safety Profile

The Hazard Codes: IrritantXi,HarmfulXn
The Risk Statements:
22:  Harmful if swallowed 
41:  Risk of serious damage to eyes 
36/37/38:  Irritating to eyes, respiratory system and skin 
37/38:  Irritating to respiratory system and skin 
The Safety Statements information:
26:  In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 
36/37/39:  Wear suitable protective clothing, gloves and eye/face protection 
36/39:  Wear suitable protective clothing and eye/face protection
Hazard Note: Irritant

2-Amino-4-chloropyrimidine Specification

 2-Amino-4-chloropyrimidine , its cas register number is 3993-78-0. It also can be called (4-Chloropyrimidin-2-yl)amine ; 4-Chloro-2-pyrimidinamine ; and 2-Pyrimidinamine,4-chloro- .

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