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Fenazaquin

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Name

Fenazaquin

EINECS 410-580-0
CAS No. 120928-09-8 Density 1.103 g/cm3
PSA 35.01000 LogP 4.54880
Solubility 0.102 mg l-1 (20 °C, pH 7) Melting Point 70-71° (Dreikorn); mp 77.5-80.0° (Gambie)
Formula C20H22N2O Boiling Point 460.985 °C at 760 mmHg
Molecular Weight 306.407 Flash Point 165.084 °C
Transport Information UN 2811 6.1/PG 3 Appearance white or almost white power
Safety 37-45-60-61 Risk Codes 20-25-50/53
Molecular Structure Molecular Structure of 120928-09-8 (Fenazaquin) Hazard Symbols ToxicT; DangerousN
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;

Article Data 4

Fenazaquin 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%. 

Fenazaquin can be prepared by 4-chloro-quinazoline and 4-tert-butyl-phenethyl alcohol

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,

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