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Cas Database |
| Name |
4-Chloro-6-trifluoromethylpyrimidine |
EINECS | 817-202-7 |
| CAS No. | 37552-81-1 | Density | 1.504 g/cm3 |
| PSA | 25.78000 | LogP | 2.14880 |
| Solubility | N/A | Melting Point |
-53--52 °C |
| Formula | C5H2ClF3N2 | Boiling Point | 166.912 °C at 760 mmHg |
| Molecular Weight | 182.532 | Flash Point | 54.747 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26-36/37/39 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
4-Chloro-6-trifluoromethylpyrimidine;4-Chlor-6-(trifluormethyl)pyrimidin;4-Chloro-6-(trifluoromethyl)pyrimidine; |
Article Data | 13 |
4-Chloro-6-trifluoromethylpyrimidine Synthetic route
- 1546-78-7
4-trifluoromethyl-1,6-dihydropyrimidine-6-oxide
- 37552-81-1
4-chloro-6-(trifluoromethyl)pyrimidine
| Conditions | Yield |
|---|---|
| With trichlorophosphate for 2h; Heating; | 73% |
| With thionyl chloride; N,N-dimethyl-formamide In toluene at 80℃; for 4h; |
- 1546-78-7
4-hydroxy-6-trifluoromethylpyrimidine
- 37552-81-1
4-chloro-6-(trifluoromethyl)pyrimidine
| Conditions | Yield |
|---|---|
| With quinoline; trichlorophosphate In toluene at 100℃; for 5h; | 21.6% |
| With trichlorophosphate for 2h; Heating / reflux; | |
| With quinoline; trichlorophosphate In toluene at 100℃; for 5h; |
- 824-72-6
P,P-dichlorophenylphosphine oxide
- 1546-78-7
4-trifluoromethyl-1,6-dihydropyrimidine-6-oxide
B
- 37552-81-1
4-chloro-6-(trifluoromethyl)pyrimidine
- 37552-81-1
4-chloro-6-(trifluoromethyl)pyrimidine
- 672-41-3
4-amino-6-(trifluoromethyl)pyrimidine
| Conditions | Yield |
|---|---|
| With ammonia In water; acetonitrile at 25℃; for 12h; | 98% |
| With ammonia In methanol at 120℃; for 0.0833333h; Microwave irradiation; | |
| With ammonia In methanol at 70℃; for 15h; Sealed tube; | 920 mg |
| With ammonia In methanol at 25℃; for 12h; |
- 73874-95-0
(piperidin-4-yl)carbamic acid tert-butyl ester
- 37552-81-1
4-chloro-6-(trifluoromethyl)pyrimidine
- 1329672-93-6
tert-butyl 1-(6-(trifluoromethyl)pyrimidin-4-yl)piperidin-4-ylcarbamate
| Conditions | Yield |
|---|---|
| With N-ethyl-N,N-diisopropylamine In 1-methyl-pyrrolidin-2-one for 0.5h; | 92% |
| With N-ethyl-N,N-diisopropylamine In 1-methyl-pyrrolidin-2-one for 0.5h; | 92% |
- 1260220-42-5
(R)-tert-butyl 2-(4-aminophenyl)morpholine-4-carboxylate
- 37552-81-1
4-chloro-6-(trifluoromethyl)pyrimidine
- 1400997-86-5
(R)-tert-butyl 2-(4-(6-trifluoromethylpyrimidin-4-ylamino)phenyl)moipholine-4-carboxylate
| Conditions | Yield |
|---|---|
| With N-ethyl-N,N-diisopropylamine In ISOPROPYLAMIDE at 80℃; | 89% |
- 1260220-43-6
tert-butyl (2S)-2-(4-aminophenyl)morpholine-4-carboxylate
- 37552-81-1
4-chloro-6-(trifluoromethyl)pyrimidine
- 1400997-86-5
(R)-tert-butyl 2-(4-(6-trifluoromethylpyrimidin-4-ylamino)phenyl)moipholine-4-carboxylate
| Conditions | Yield |
|---|---|
| With N-ethyl-N,N-diisopropylamine In ISOPROPYLAMIDE at 80℃; | 89% |
- 5813-64-9
2,2-dimethylpropylamine
- 37552-81-1
4-chloro-6-(trifluoromethyl)pyrimidine
| Conditions | Yield |
|---|---|
| With potassium carbonate In N,N-dimethyl-formamide at 100℃; for 2h; Inert atmosphere; | 88% |
- 37552-81-1
4-chloro-6-(trifluoromethyl)pyrimidine
| Conditions | Yield |
|---|---|
| With hydrazine hydrate In ethanol at 20℃; for 2h; | 88% |
- 1383575-65-2
2-((1H-indol-3-yl)methyl)-2,7-diazaspiro[4.4]nonan-1-one
- 37552-81-1
4-chloro-6-(trifluoromethyl)pyrimidine
- 1383574-27-3
2-((1H-indol-3-yl)methyl)-7-(6-(trifluoromethyl)pyrimidin-4-yl)-2,7-diazaspiro[4.4]nonan-1-one
| Conditions | Yield |
|---|---|
| With N-ethyl-N,N-diisopropylamine at 190℃; for 2h; Inert atmosphere; Microwave irradiation; | 72% |
| With N-ethyl-N,N-diisopropylamine In acetonitrile at 190℃; for 2h; Inert atmosphere; microwave irradiation; | 72% |
4-Chloro-6-trifluoromethylpyrimidine Chemical Properties
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Systematic Name: 4-Chloro-6-(trifluoromethyl)pyrimidine
Empirical Formula: C5H2ClF3N2
Molecular Weight: 182.531
SMILES: Clc1ncnc(c1)C(F)(F)F
InChI: InChI=1/C5H2ClF3N2/c6-4-1-3(5(7,8)9)10-2-11-4/h1-2H
InChIKey: TYSPDLZOMUDHQZ-UHFFFAOYAR
Index of Refraction: 1.445
Molar Refractivity: 32.31 cm3
Molar Volume: 121.342 cm3
Surface Tension: 32.019 dyne/cm
Density: 1.504 g/cm3
Flash Point: 54.747 °C
Enthalpy of Vaporization: 38.68 kJ/mol
Boiling Point: 166.912 °C at 760 mmHg
Vapour Pressure: 2.3 mmHg at 25 °C
Product Categories of 4-Chloro-6-trifluoromethylpyrimidine (CAS NO.37552-81-1): Pyrimidine series; Pyrimidines; Pyrimidine; Boronic Acid; Heterocyclic Compounds
4-Chloro-6-trifluoromethylpyrimidine Safety Profile
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements of 4-Chloro-6-trifluoromethylpyrimidine (CAS NO.37552-81-1): 26-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
4-Chloro-6-trifluoromethylpyrimidine Specification
4-Chloro-6-trifluoromethylpyrimidine (CAS NO.37552-81-1), its Synonyms are 4-Chlor-6-(trifluormethyl)pyrimidin ; 4-Chloro-6-(trifluoromethyl)pyrimidine ; Pyrimidine, 4-chloro-6-(trifluoromethyl)- ; 4-Chloro-6-trifluoromethyl-pyrimidine ; 6-Chloro-4-(Trifluoromethyl)pyrimidine .
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