AKOS B022179
4-(Trifluoromethyl)-2-pyrimidinethiol
CAS: 136547-17-6
Molecular Formula: C5H3F3N2S
AKOS B022179 - Names and Identifiers
| Name | 4-(Trifluoromethyl)-2-pyrimidinethiol |
| Synonyms | AKOS B022179 BUTTPARK 27 8-66 ART-CHEM-BB B022179 4-(TRIFLUOROMETHYL)-2-PYRIMIDINETHIOL 4-(TRIFLUOROMETHYL)PYRIMIDINE-2-THIOL 4-(Trifluoromethyl)-2-pyrimidinethiol ethyl 4,4,4-trifluoro-2-methylbutanoate 2-MERCAPTO-4-(TRIFLUOROMETHYL)PYRIMIDINE |
| CAS | 136547-17-6 |
| EINECS | 625-180-3 |
| InChI | InChI=1/C7H11F3O2/c1-3-12-6(11)5(2)4-7(8,9)10/h5H,3-4H2,1-2H3 |
AKOS B022179 - Physico-chemical Properties
| Molecular Formula | C5H3F3N2S |
| Molar Mass | 180.15 |
| Density | 1.4933 (estimate) |
| Melting Point | 164-166 °C (lit.) |
| Boling Point | 146.0±50.0 °C(Predicted) |
| Flash Point | 0.1°C |
| Vapor Presure | 15.6mmHg at 25°C |
| Appearance | Solid |
| pKa | 4.96±0.10(Predicted) |
| Storage Condition | under inert gas (nitrogen or Argon) at 2–8 °C |
| Sensitive | Stench |
| Refractive Index | 1.364 |
| MDL | MFCD00115113 |
| Physical and Chemical Properties | Sensitivity: Stench WGK Germany:3 |
AKOS B022179 - Risk and Safety
| Risk Codes | 23/24/25 - Toxic by inhalation, in contact with skin and if swallowed. |
| Safety Description | S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) |
| UN IDs | UN 2811 6.1/PG 3 |
| WGK Germany | 3 |
| HS Code | 29335990 |
| Hazard Note | Irritant/Stench |
| Hazard Class | 6.1(b) |
| Packing Group | III |
AKOS B022179 - Introduction
4-(Trifluoromethyl)-2-mercaptopyrimidine is an organic compound with the chemical formula C5H2F3N3S. The following is a description of its nature, use, preparation and safety information:
Nature:
4-(Trifluoromethyl)-2-mercaptopyrimidine is a white or off-white solid, insoluble in water, soluble in organic solvents such as ethanol and dichloromethane. It is a pyrimidine compound, which contains thiol and trifluoromethyl functional groups, with a certain degree of stability.
Use:
4-(Trifluoromethyl)-2-mercaptopyrimidine can be used as a sulfide flame retardant and fungicide. Because of its sulfhydryl and trifluoromethyl functional groups, it has good fire resistance and can effectively inhibit the growth of fungi. It is also widely used in agriculture to control plant diseases.
Preparation Method:
The preparation method of 4-(trifluoromethyl)-2-mercaptopyrimidine is more complicated. A common method is to first use 2-chloro-4-mercaptopyrimidine as raw material, react with trifluoromethyl ammonium sulfate, and then obtain the target product through hydrogenation treatment, dehydration, crystallization purification and other steps.
Safety Information:
There is no clear information reported on the safety of 4-(trifluoromethyl)-2-mercaptopyrimidine. As a chemical substance, care should be taken to comply with the safety procedures for the relevant chemicals, such as wearing protective gloves, glasses and laboratory clothes, and to ensure that the operation is carried out in a well-ventilated environment. Further research and experimental evaluation of the toxicity and potential effects on humans of this compound are needed.
Nature:
4-(Trifluoromethyl)-2-mercaptopyrimidine is a white or off-white solid, insoluble in water, soluble in organic solvents such as ethanol and dichloromethane. It is a pyrimidine compound, which contains thiol and trifluoromethyl functional groups, with a certain degree of stability.
Use:
4-(Trifluoromethyl)-2-mercaptopyrimidine can be used as a sulfide flame retardant and fungicide. Because of its sulfhydryl and trifluoromethyl functional groups, it has good fire resistance and can effectively inhibit the growth of fungi. It is also widely used in agriculture to control plant diseases.
Preparation Method:
The preparation method of 4-(trifluoromethyl)-2-mercaptopyrimidine is more complicated. A common method is to first use 2-chloro-4-mercaptopyrimidine as raw material, react with trifluoromethyl ammonium sulfate, and then obtain the target product through hydrogenation treatment, dehydration, crystallization purification and other steps.
Safety Information:
There is no clear information reported on the safety of 4-(trifluoromethyl)-2-mercaptopyrimidine. As a chemical substance, care should be taken to comply with the safety procedures for the relevant chemicals, such as wearing protective gloves, glasses and laboratory clothes, and to ensure that the operation is carried out in a well-ventilated environment. Further research and experimental evaluation of the toxicity and potential effects on humans of this compound are needed.
Last Update：2024-04-10 22:29:15
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View History
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