LABOTEST-BB LT00012608
2-Amino-3-chloro-5-(trifluoromethyl)pyridine
CAS: 79456-26-1
Molecular Formula: C6H4ClF3N2
LABOTEST-BB LT00012608 - Names and Identifiers
LABOTEST-BB LT00012608 - Physico-chemical Properties
| Molecular Formula | C6H4ClF3N2 |
| Molar Mass | 196.56 |
| Density | 1.4650 (estimate) |
| Melting Point | 86-90 °C (lit.) |
| Boling Point | 205°C |
| Flash Point | 75.71°C |
| Water Solubility | 622mg/L at 25℃ |
| Solubility | Chloroform (Slightly), Methanol (Slightly) |
| Vapor Presure | 40.8Pa at 24.85℃ |
| Appearance | White crystal |
| Color | White to off-white |
| pKa | 1.79±0.49(Predicted) |
| Storage Condition | under inert gas (nitrogen or Argon) at 2–8 °C |
| Sensitive | Easily absorbing moisture |
| Refractive Index | 1.502 |
| MDL | MFCD00042154 |
| Physical and Chemical Properties | Melting Point: 84-94°C Boiling Point: 205°C |
LABOTEST-BB LT00012608 - Risk and Safety
| Risk Codes | 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 Description | 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 |
| HS Code | 29339900 |
| Hazard Class | IRRITANT |
LABOTEST-BB LT00012608 - Reference Information
| LogP | 2.59 at 20℃ |
| Introduction | 2-amino-3-chloro-5-trifluoromethyl pyridine, as a key intermediate in the preparation of fluroxamine. The production technology of fluxamine is a new technology for the production of a new type of substituted aniline broad-spectrum fungicide in the fine chemical industry of pesticide intermediates, at the same time, the effect of fluoride on a variety of Botrytis cinerea caused by Botrytis cinerea. |
| preparation | add 2-aminopyridine (9.4g,1.0mol) to MIBK(48ml), the mixture was stirred until dissolution was clear, and the temperature was lowered to -5 to 0 °c using an ice machine. NBS(18.2g,0.102mol) was dissolved in MIBK (ML) solvent. The NBS solution was added dropwise to the 2-aminopyridine solution at -5~5 ℃ for 1.5-2 hours, the pot temperature was controlled at -5 to 5 ° C. For 4 hours. The 2-aminopyridine content was 0.01% by liquid phase analysis. NCS(15.4g,0.115mol) was dissolved in MIBK(160mL), and the dissolved NCS solution was put into the reactor, and the temperature of the reactor was controlled to 90~100 ℃, The reaction was incubated for 15 hours, and the content of 2-amino-5-bromopyridine was 0.03% by liquid phase analysis. Distillation under reduced pressure, after removing more than 90% of MIBK solvent, add mixed solvent of ethanol (150mL) and water (15mL), heat up to 60~70 ℃, dissolve, recrystallize, filter and rinse, 2-amino-3-chloro-5-bromopyridine is obtained. The above 2-amino-3-chloro-5-bromopyridine solid was added to dioxane (162mL) and heated to 55-60 °c to dissolve, then PdCl2dppf catalyst (0.73g,0.001mol), potassium acetate (14.7g,0.15mol) and ch3bf3 K(19.4g,0.11mol), controlled the kettle temperature at 80~100 ℃ for 12 hours, liquid phase analysis the 2-amino-3-chloro-5-bromopyridine content was 0.05%. The reaction solution is reduced to room temperature, Suction filtration, dioxane washing, distillation of solvent, activated carbon decolorization, Ethanol and heptane (1/5 volume ratio) were slurried and dried to give 2-amino-3-chloro-5-trifluoromethylpyridine (13.9g). |
Last Update：2024-04-10 22:29:15
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View History
LABOTEST-BB LT00012608
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