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| CAS No.: | 53112-28-0 |
|---|---|
| Name: | Pyrimethanil |
| Article Data: | 22 |
| Molecular Structure: | |
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| Formula: | C12H13N3 |
| Molecular Weight: | 199.255 |
| Synonyms: | Scala;2-Pyrimidinamine, 4,6-dimethyl-N-phenyl-;4,6-dimethyl-N-phenyl-pyrimidin-2-amine; |
| EINECS: | 414-220-3 |
| Density: | 1.15 g/cm3 |
| Melting Point: | 96 °C |
| Boiling Point: | 362.8 °C at 760 mmHg |
| Flash Point: | 173.2 °C |
| Solubility: | 0.121 g/L (25 ºC) |
| Appearance: | White powder |
| Hazard Symbols: |
 N
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| Risk Codes: | 51/53 |
| Safety: | 60 |
| Transport Information: | UN 3077 |
| PSA: | 37.81000 |
| LogP: | 2.91000 |
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Uses
Pyrimethanil is a broad spectrum fungicide often applied to seeds. It inhibits methionine biosynthesis, thus affecting protein formation and subsequent cell division. Pyrimethanil works best on young fungus infestations.
Safety Profile
| Safety Info | |
| Safety Statements: | S60 |
|---|---|
| HS Code: | 2942000000 |
| RIDADR: | UN 3077 |
| Risk Statements: | R51/53 |
| Hazard Codes: | N |
Specification
The Pyrimethanil, with the CAS registry number 53112-28-0, is also known as 2-Pyrimidinamine, 4,6-dimethyl-N-phenyl-. Its EINECS registry number is 414-220-3. This chemical's molecular formula is C12H13N3 and molecular weight is 199.25. Its IUPAC name is called 4,6-dimethyl-N-phenylpyrimidin-2-amine. Pyrimethanil inhibits methionine biosynthesis, thus affecting protein formation and subsequent cell division. It is a broad spectrum fungicide often applied to seeds. What's more, you should keep it with sealing tight with the temperature of 0-6 ºC. It can be used as the pyrimidinamine fungicide.
Physical properties of Pyrimethanil: (1)ACD/LogP: 2.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.84; (4)ACD/LogD (pH 7.4): 2.84; (5)ACD/BCF (pH 5.5): 84.57; (6)ACD/BCF (pH 7.4): 84.8; (7)ACD/KOC (pH 5.5): 833.23; (8)ACD/KOC (pH 7.4): 835.5; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.622; (13)Molar Refractivity: 61.45 cm3; (14)Molar Volume: 174.4 cm3; (15)Surface Tension: 50.1 dyne/cm; (16)Density: 1.142 g/cm3; (17)Melting Point: 96 °C; (18)Flash Point: 173.2 °C; (19)Enthalpy of Vaporization: 60.88 kJ/mol; (20)Boiling Point: 362.8 °C at 760 mmHg; (21)Vapour Pressure: 1.89E-05 mmHg at 25°C.
Preparation: this chemical can be prepared by 4,6-dimethyl-1-phenyl-1H-pyrimidine-2-thione. This reaction will need reagent ammonia and solvent ethanol. The reaction time is 20 hours with reaction temperature of 85 ℃. The yield is about 36%.
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When you are using this chemical, please be cautious about it as the following:
This chemical may present an immediate or delayed danger to one or more components of the environment. It is toxic to aquatic organisms which may cause long-term adverse effects in the aquatic environment. In addition, it may impair fertility.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC(=NC(=N1)NC2=CC=CC=C2)C
(2)InChI: InChI=1S/C12H13N3/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,13,14,15)
(3)InChIKey: ZLIBICFPKPWGIZ-UHFFFAOYSA-N