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Cas Database |
| Name |
3-Chloro-5-(trifluoromethyl)pyridin-2-amine |
EINECS | 401-670-0 |
| CAS No. | 79456-26-1 | Density | 1.507 g/cm3 |
| PSA | 38.91000 | LogP | 2.91720 |
| Solubility | 622mg/L at 25℃ | Melting Point |
86-90 °C(lit.) |
| Formula | C6H4ClF3N2 | Boiling Point | 201.6 °C at 760 mmHg |
| Molecular Weight | 196.559 | Flash Point | 75.7 °C |
| Transport Information | N/A | Appearance | Light yellow cryst. |
| Safety | 61-36/37/39-26-22 | Risk Codes | 22-52/53-36/37/38-20/21/22 |
| Molecular Structure |
|
Hazard Symbols |
 Xn,  Xi
|
| Synonyms |
2-Amino-3-chloro-5-trifluoromethylpyridine;3-Chloro-5-(trifluoromethyl)-2-pyridinamine;5-(Trifluoromethyl)-3-chloro-2-pyridinylamine; |
Article Data | 13 |
3-Chloro-5-(trifluoromethyl)pyridin-2-amine Synthetic route
- 72537-17-8
2-fluoro-3-chloro-5-(trifluoromethyl)pyridine
- 79456-26-1
2-amino-3-chloro-5-(trifluoromethyl)pyridine
| Conditions | Yield |
|---|---|
| With ammonia In tetrahydrofuran at 35℃; under 1950.2 Torr; for 28h; Product distribution / selectivity; Autoclave; Inert atmosphere; | 99.5% |
| With acetamidine hydrochloride; sodium hydroxide In water; dimethyl sulfoxide at 130℃; for 24h; Schlenk technique; chemoselective reaction; | 94% |
| With ammonia In tetrahydrofuran at 30℃; under 3750.38 - 6750.68 Torr; for 30h; Temperature; Pressure; Autoclave; Inert atmosphere; |
- 69045-84-7
2,3-dichloro-5-trifluoromethylpyridine
- 79456-26-1
2-amino-3-chloro-5-(trifluoromethyl)pyridine
| Conditions | Yield |
|---|---|
| With ammonia In water at 80℃; under 13501.4 - 16501.7 Torr; for 9h; Autoclave; | 90% |
| With ammonium hydroxide at 100℃; for 12h; Sealed tube; | 90% |
| With ammonium hydroxide at 100 - 125℃; under 1520 Torr; for 29h; | 82.9% |
| With ammonium hydroxide | |
| With ammonia In tetrahydrofuran at 100℃; under 4500.45 - 12001.2 Torr; for 28h; Pressure; Temperature; Autoclave; Inert atmosphere; |
- 38185-55-6
5-bromo-3-chloropyridin-2-ylamine
- 79456-26-1
2-amino-3-chloro-5-(trifluoromethyl)pyridine
| Conditions | Yield |
|---|---|
| With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate In 1,4-dioxane at 55 - 105℃; for 6h; Temperature; | 76% |
- 74784-70-6
2-amino-5-trifluoromethylpyridine
- 79456-26-1
2-amino-3-chloro-5-(trifluoromethyl)pyridine
| Conditions | Yield |
|---|---|
| With hydrogenchloride; chlorine at 50 - 60℃; |
- 52334-81-3
2-chloro-5-trifluoromethylpyridine
- 79456-26-1
2-amino-3-chloro-5-(trifluoromethyl)pyridine
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 39 percent / aq. ammonia / 8 h / 180 °C 2: chlorine, conc.HCl / 50 - 60 °C View Scheme | |
| Multi-step reaction with 2 steps 1: 75 percent / aq. ammonia / 24 h / 135 °C 2: chlorine, conc.HCl / 50 - 60 °C View Scheme |
- 69045-78-9
2-chloro-5-(Trichloromethyl)-pyridine
- 79456-26-1
2-amino-3-chloro-5-(trifluoromethyl)pyridine
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: 54.5 percent / antimony trifluoride / 0.17 h / Heating 2: 39 percent / aq. ammonia / 8 h / 180 °C 3: chlorine, conc.HCl / 50 - 60 °C View Scheme | |
| Multi-step reaction with 3 steps 1: 54.5 percent / antimony trifluoride / 0.17 h / Heating 2: 75 percent / aq. ammonia / 24 h / 135 °C 3: chlorine, conc.HCl / 50 - 60 °C View Scheme |
- 69045-83-6
2,3-dichloro-5-(trichloromethyl)pyridine
- 79456-26-1
2-amino-3-chloro-5-(trifluoromethyl)pyridine
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 80.4 percent / antimony trifluoride / 0.17 h / Heating; Irradiation 2: 82.9 percent / aq. ammonia / 29 h / 100 - 125 °C / 1520 Torr View Scheme | |
| Multi-step reaction with 2 steps 1: hydrogen fluoride; iron(III) chloride; pyridine / 130 - 175 °C / Autoclave 2: ammonia / water / 9 h / 80 °C / 13501.4 - 16501.7 Torr / Autoclave View Scheme |
- 507-40-4
tert-butylhypochlorite
- 74784-70-6
2-amino-5-trifluoromethylpyridine
- 79456-26-1
2-amino-3-chloro-5-(trifluoromethyl)pyridine
| Conditions | Yield |
|---|---|
| With hydrogenchloride; acetic acid In toluene |
- 69045-84-7
2,3-dichloro-5-trifluoromethylpyridine
- 79456-26-1
2-amino-3-chloro-5-(trifluoromethyl)pyridine
- 3099-50-1
3-trichloromethyl-pyridine
- 79456-26-1
2-amino-3-chloro-5-(trifluoromethyl)pyridine
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: phosphorus pentachloride / 16 h / 210 °C / Autoclave 2: hydrogen fluoride; iron(III) chloride; pyridine / 130 - 175 °C / Autoclave 3: ammonia / water / 9 h / 80 °C / 13501.4 - 16501.7 Torr / Autoclave View Scheme | |
| Multi-step reaction with 4 steps 1: phosphorus pentachloride / 16 h / 210 °C / Autoclave 2: phosphorus pentachloride / 16 h / 210 °C / Autoclave 3: hydrogen fluoride; iron(III) chloride; pyridine / 130 - 175 °C / Autoclave 4: ammonia / water / 9 h / 80 °C / 13501.4 - 16501.7 Torr / Autoclave View Scheme |
3-Chloro-5-(trifluoromethyl)pyridin-2-amine Chemical Properties
Product Name: 3-Chloro-5-(trifluoromethyl)pyridin-2-amine (CAS NO.79456-26-1)
Molecular Formula: C6H4ClF3N2
Molecular Weight: 196.56g/mol
Mol File: 79456-26-1.mol
Appearance: Light yellow Cryst
Melting Point: 86-90 °C(lit.)
Boiling point: 201.6 °C at 760 mmHg
Flash Point: 75.7 °C
Density: 1.507 g/cm3
Index of Refraction: 1.501
Molar Refractivity: 38.45 cm3
Molar Volume: 130.3 cm3
Surface Tension: 36.4 dyne/cm
Enthalpy of Vaporization: 43.78 kJ/mol
Vapour Pressure: 0.306 mmHg at 25°C
XLogP3-AA: 2
H-Bond Donor: 1
H-Bond Acceptor: 5
Structure Descriptors of 3-Chloro-5-(trifluoromethyl)pyridin-2-amine (CAS NO.79456-26-1):
IUPAC Name: 3-chloro-5-(trifluoromethyl)pyridin-2-amine
Canonical SMILES: C1=C(C=NC(=C1Cl)N)C(F)(F)F
InChI: InChI=1S/C6H4ClF3N2/c7-4-1-3(6(8,9)10)2-12-5(4)11/h1-2H,(H2,11,12)
InChIKey: WXNPZQIRDCDLJD-UHFFFAOYSA-N
Product Categories: Pyridines, Pyrimidines, Purines and Pteredines; Pyridine series; Amines; Pyridines; Pyridine; Chloropyridines; Halopyridines; C6Heterocyclic Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks
3-Chloro-5-(trifluoromethyl)pyridin-2-amine Safety Profile
Safety Information of 3-Chloro-5-(trifluoromethyl)pyridin-2-amine (CAS NO.79456-26-1):
Hazard Codes: Xn
,Xi
Risk Statements: 22-52/53-36/37/38-20/21/22
R22:Harmful if swallowed.
R52/53:Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
R36/37/38:Irritating to eyes, respiratory system and skin.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 61-36/37/39-26-22
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S22:Do not breathe dust.
WGK Germany: 2
Hazard Note: Irritant
HazardClass: IRRITANT
3-Chloro-5-(trifluoromethyl)pyridin-2-amine Specification
3-Chloro-5-(trifluoromethyl)pyridin-2-amine , its CAS NO. is 79456-26-1, the synonyms are 3-Chloro-5-(trifluoromethyl)-2-pyridylamine ; 2-Amino-3-chloro-5-trifluoromethylpyridine ; 2,3,5-ACTF .
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