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79456-26-1

Basic Information
CAS No.: 79456-26-1
Name: 3-Chloro-5-(trifluoromethyl)pyridin-2-amine
Article Data: 13
Cas Database
Molecular Structure:
Molecular Structure of 79456-26-1 (3-Chloro-5-(trifluoromethyl)pyridin-2-amine)
Formula: C6H4ClF3N2
Molecular Weight: 196.559
Synonyms: 2-Amino-3-chloro-5-trifluoromethylpyridine;3-Chloro-5-(trifluoromethyl)-2-pyridinamine;5-(Trifluoromethyl)-3-chloro-2-pyridinylamine;
EINECS: 401-670-0
Density: 1.507 g/cm3
Melting Point: 86-90 °C(lit.)
Boiling Point: 201.6 °C at 760 mmHg
Flash Point: 75.7 °C
Solubility: N/A
Appearance: Light yellow cryst.
Hazard Symbols: HarmfulXn, IrritantXi
Risk Codes: 22-52/53-36/37/38-20/21/22
Safety: 61-36/37/39-26-22
Transport Information: N/A
PSA: 38.91000
LogP: 2.91720
Synthetic route
72537-17-8

2-fluoro-3-chloro-5-(trifluoromethyl)pyridine

79456-26-1

2-amino-3-chloro-5-(trifluoromethyl)pyridine

Conditions
ConditionsYield
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
ConditionsYield
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

potassium trifluoro(methyl)boranuide

79456-26-1

2-amino-3-chloro-5-(trifluoromethyl)pyridine

Conditions
ConditionsYield
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
ConditionsYield
With hydrogenchloride; chlorine at 50 - 60℃;
52334-81-3

2-chloro-5-trifluoromethylpyridine

79456-26-1

2-amino-3-chloro-5-(trifluoromethyl)pyridine

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
With hydrogenchloride; acetic acid In toluene

ammonium hydroxide

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
ConditionsYield
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
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Chemistry

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

Safety Profile

Safety Information of 3-Chloro-5-(trifluoromethyl)pyridin-2-amine (CAS NO.79456-26-1):
Hazard Codes: XnHarmful,XiIrritant
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

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 .