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| CAS No.: | 120928-09-8 |
|---|---|
| Name: | Fenazaquin |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C20H22N2O |
| Molecular Weight: | 306.407 |
| Synonyms: | Fenaza;Fenazachin;Magister;Phenazaquin;XDE 436;AFenazaquin;4-[2-(4-tert-butylphenyl)ethoxy]quinazoline;4-{2-[4-(2-Methyl-2-propanyl)phenyl]ethoxy}chinazoline; |
| EINECS: | 410-580-0 |
| Density: | 1.103 g/cm3 |
| Melting Point: | 70-71° (Dreikorn); mp 77.5-80.0° (Gambie) |
| Boiling Point: | 460.985 °C at 760 mmHg |
| Flash Point: | 165.084 °C |
| Solubility: | 0.102 mg l-1 (20 °C, pH 7) |
| Appearance: | white or almost white power |
| Hazard Symbols: |
 T;  N
|
| Risk Codes: | 20-25-50/53 |
| Safety: | 37-45-60-61 |
| Transport Information: | UN 2811 6.1/PG 3 |
| PSA: | 35.01000 |
| LogP: | 4.54880 |
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Specification
The Fenazaquin, with the CAS registry number 120928-09-8 and EINECS registry number 410-580-0, has the systematic name of 4-[2-(4-tert-butylphenyl)ethoxy]quinazoline. And the molecular formula of this chemical is C20H22N2O. It belongs to the following product categories: Acaricides Pesticides & Metabolites; Alpha sort; E-GAlphabetic; F; FA - FL; Pesticides; Pesticides & Metabolites. And it is used as an experimental miticide.
The physical properties of Fenazaquin are as following: (1)ACD/LogP: 5.54; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.53; (4)ACD/LogD (pH 7.4): 5.54; (5)ACD/BCF (pH 5.5): 9330.04; (6)ACD/BCF (pH 7.4): 9523.23; (7)ACD/KOC (pH 5.5): 24025.37; (8)ACD/KOC (pH 7.4): 24522.86; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 35.01 Å2; (13)Index of Refraction: 1.595; (14)Molar Refractivity: 94.46 cm3; (15)Molar Volume: 277.8 cm3; (16)Polarizability: 37.44×10-24cm3; (17)Surface Tension: 44 dyne/cm; (18)Density: 1.102 g/cm3; (19)Flash Point: 165.1 °C; (20)Enthalpy of Vaporization: 69.41 kJ/mol; (21)Boiling Point: 461 °C at 760 mmHg; (22)Vapour Pressure: 3.06E-08 mmHg at 25°C.
Preparation of Fenazaquin: This chemical can be prepared by 4-chloro-quinazoline and 4-tert-butyl-phenethyl alcohol. The reaction will need reagent NaH, and the solvents tetrahydrofuran and dimethylformamide. The reaction time is 1 hour, and the yield is about 58%.
You should be cautious while dealing with this chemical. It is harmful by inhalation, and toxic if swallowed. It is also very Toxic to aquatic organisms, and may cause long-term adverse effects in the aquatic environment. Therefore, you had better take the following instructions: Wear suitable gloves and eye/face protection, and in case of accident or if you feel unwell, seek medical advice immediately (show label where possible); This material and/or its container must be disposed of as hazardous waste; Avoid release to the environment. Refer to special instructions safety data sheet.
You can still convert the following datas into molecular structure:
(1)SMILES: n3c1c(cccc1)c(OCCc2ccc(cc2)C(C)(C)C)nc3
(2)InChI: InChI=1/C20H22N2O/c1-20(2,3)16-10-8-15(9-11-16)12-13-23-19-17-6-4-5-7-18(17)21-14-22-19/h4-11,14H,12-13H2,1-3H3
(3)InChIKey: DMYHGDXADUDKCQ-UHFFFAOYAT
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | oral | 1789mg/kg (1789mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA SKIN AND APPENDAGES (SKIN): HAIR: OTHER | National Technical Information Service. Vol. OTS0543587, |
| quail | LD50 | oral | > 2gm/kg (2000mg/kg) | Pesticide Manual. Vol. 9, Pg. 363, 1991. | |
| rat | LD50 | inhalation | 1820mg/m3/2H (1820mg/m3) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: DYSPNEA | National Technical Information Service. Vol. OTS0543610, |
| rat | LD50 | oral | 136mg/kg (136mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: COMA GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" | National Technical Information Service. Vol. OTS0543600, |