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| CAS No.: | 60168-88-9 |
|---|---|
| Name: | Fenarimol |
| Molecular Structure: | |
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|
|
| Formula: | C17H12Cl2N2O |
| Molecular Weight: | 331.201 |
| Synonyms: | Fenari;Rubigan;Rubigan SC;2,4'-Dichloro-alpha-(5-pyrimidinyl)benzhydryl alcohol;(+-)-2,4'-Dichloro-alpha-(pyrimidin-5-yl)benzhydryl alcohol;alpha-(2-Chlorophenyl)-alpha-(4-chlorophenyl)-5-pyrimidinemethanol;Fenarimol; |
| EINECS: | 262-095-7 |
| Density: | 1.364g/cm3 |
| Melting Point: | 117-119°C |
| Boiling Point: | 502.556 °C at 760 mmHg |
| Flash Point: | 257.737 °C |
| Solubility: | insoluble in water, soluble in most solvents |
| Appearance: | Pure white crystalline solid |
| Hazard Symbols: |
 Xn, N
|
| Risk Codes: | 51/53-62-63-64 |
| Safety: | 36/37-61 |
| Transport Information: | UN 3017/3077 |
| PSA: | 46.01000 |
| LogP: | 4.06760 |
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Consensus Reports
Reported in EPA TSCA Inventory.
Specification
The Fenarimol, with the CAS registry number 60168-88-9, is also known as 2,4'-Dichloro-alpha-(5-pyrimidinyl)benzhydryl alcohol. It belongs to the product categories of FA - FLPesticides; Alpha sort; E-GAlphabetic; F; Fungicides; Pesticides & Metabolites; Pyrimidines; Alphabetic. Its EINECS number is 262-095-7. This chemical's molecular formula is C17H12Cl2N2O and molecular weight is 331.20. What's more, its systematic name is (2-Chlorophenyl)(4-chlorophenyl)5-pyrimidinylmethanol. Its classification codes are: (1)Agricultural Chemical; (2)Fungicide; (3)Fungicide, bactericide, wood preservative; (4)Fungicides, industrial; (5)Mutation data; (6)Pesticides; (7)Reproductive Effect. It is used as broad spectrum fungicide with the role of protection, treatment and eradication. This chemcial should be sealed and stored at the temperature of 0 - 6 °C. Moreover, it should be protected from oxides.
Physical properties of Fenarimol are: (1)ACD/LogP: 3.099; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.10; (4)ACD/LogD (pH 7.4): 3.10; (5)ACD/BCF (pH 5.5): 133.39; (6)ACD/BCF (pH 7.4): 133.36; (7)ACD/KOC (pH 5.5): 1155.48; (8)ACD/KOC (pH 7.4): 1155.21; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 46.01 Å2; (13)Index of Refraction: 1.643; (14)Molar Refractivity: 87.045 cm3; (15)Molar Volume: 240.638 cm3; (16)Polarizability: 34.507×10-24cm3; (17)Surface Tension: 57 dyne/cm; (18)Density: 1.376 g/cm3; (19)Flash Point: 257.737 °C; (20)Enthalpy of Vaporization: 81.253 kJ/mol; (21)Boiling Point: 502.556 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
Preparation of Fenarimol: this chemical can be prepared by 5-bromo-pyrimidine and 2,4'-dichloro-benzophenone at the temperature of -95 - 20 °C. This reaction will need reagent n-BuLi and solvents tetrahydrofuran, hexane with the reaction time of 3.5 hours. The yield is about 34%.
When you are using this chemical, please be cautious about it as the following:
This chemical is toxic to aquatic organisms as it may cause long-term adverse effects in the aquatic environment. It has a possible risk of impaired fertility and a risk of harm to the unborn child. Moreover, it may cause harm to breast-fed babies. When using it, you need wear suitable suitable protective clothing and gloves. You must avoid releasing it to the environment and you need to refer to special instructions/safety data sheet.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(cc1)C(O)(c2ccccc2Cl)c3cncnc3
(2)Std. InChI: InChI=1S/C17H12Cl2N2O/c18-14-7-5-12(6-8-14)17(22,13-9-20-11-21-10-13)15-3-1-2-4-16(15)19/h1-11,22H
(3)Std. InChIKey: NHOWDZOIZKMVAI-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| bird - wild | LD50 | oral | > 200mg/kg (200mg/kg) | Pesticide Manual. Vol. 9, Pg. 362, 1991. | |
| dog | LD50 | oral | > 200mg/kg (200mg/kg) | Pesticide Manual. Vol. 9, Pg. 362, 1991. | |
| mouse | LD50 | oral | 4500mg/kg (4500mg/kg) | Defense des Vegetaux. Vol. 34, Pg. 17, 1980. | |
| rabbit | LD50 | skin | > 2gm/kg (2000mg/kg) | Pesticide Manual. Vol. 9, Pg. 362, 1991. | |
| rat | LD50 | oral | 2500mg/kg (2500mg/kg) | Defense des Vegetaux. Vol. 34, Pg. 17, 1980. |