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| CAS No.: | 3993-78-0 |
|---|---|
| Name: | 2-Amino-4-chloropyrimidine |
| Article Data: | 27 |
| Molecular Structure: | |
|
|
|
| Formula: | C4H4ClN3 |
| Molecular Weight: | 129.549 |
| 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; |
| Density: | 1.437g/cm3 |
| Melting Point: | 155-160 °C (dec.) |
| Boiling Point: | 314.609 °C at 760 mmHg |
| Flash Point: | 144.07 °C |
| Appearance: | White solid |
| Hazard Symbols: |
 Xn,  Xi
|
| Risk Codes: | 36/37/38-41-37/38-22 |
| Safety: | 26-36/37/39-36/39 |
| PSA: | 51.80000 |
| LogP: | 1.29340 |
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- 97229-11-3
4-chloro-2-methanesulfonylpyrimidine
- 3993-78-0
2-amino-4-chloropyrimidine
| Conditions | Yield |
|---|---|
| With aq. NH3 In isopropyl alcohol | 100% |
| Conditions | Yield |
|---|---|
| With pyridine; trichlorophosphate at 180℃; under 150.015 - 900.09 Torr; for 2h; Neat (no solvent); | 95% |
| With trichlorophosphate for 1.5h; Heating; | 52% |
| Conditions | Yield |
|---|---|
| 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% |
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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% |
| Conditions | Yield |
|---|---|
| With ammonia; water | |
| With ammonium hydroxide at 20℃; for 16h; |
- 3993-78-0
2-amino-4-chloropyrimidine
| Conditions | Yield |
|---|---|
| With sulfuric acid; trichlorophosphate | |
| With chlorosulphuric acid; trichlorophosphate |
- 3993-78-0
2-amino-4-chloropyrimidine
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| at 100℃; |
- 3993-78-0
2-amino-4-chloropyrimidine
| Conditions | Yield |
|---|---|
| With ammonia | 51.3 g |
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Chemistry
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
Uses
2-Amino-4-chloropyrimidine (CAS NO.3993-78-0) is usually used for the synthesis of pesticides such as Chlorimuron-ethyl.
Safety Profile
The Hazard Codes: 
Xi,
Xn
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
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- .