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Triadimenol
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Name

Triadimenol

 EINECS 259-537-6
CAS No. 55219-65-3 Density 1.24 g/cm3
PSA 60.17000 LogP 2.91610
Solubility A 62 mg l-1 (20 °C); B 33 mg l-1(20 °C) Melting Point 110ºC
Formula C14H18ClN3O2 Boiling Point 465.4 °C at 760 mmHg
Molecular Weight 295.769 Flash Point 235.3 °C
Transport Information UN 2588 Appearance powder
Safety 22-61-36-26-45 Risk Codes 22-52/53-36-20/21/22-11-23
Molecular Structure Molecular Structure of 55219-65-3 (Triadimenol) Hazard Symbols HarmfulXn, FlammableF, ToxicT
Synonyms

1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol;Bayfidan;beta-(4-Chlorophenoxy)-alpha-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol;BAY KWG 0519;UK 199;Triaphol;1H-1,2,4-Triazole-1-ethanol,a-(4-chlorophenoxy)- R-(1,1-dimethylethyl)-;Ethanol, 2-(4-chlorophenoxy)-1-tert-butyl-2-(1H-1,2,4-triazole-1-yl)-;Summit;Triafol;1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol;Baytan 15;alpha-tert-Butyl-beta-(4-chlorophenoxy)-1H-1,2,4-triazole-1-ethanol;Baytan;Bayfrdan EW;Baytan TF 3479B;α-tert-butyl-β-(4-chlorophenoxy)-1H-1,2,4-triazole-1-ethanol;

Article Data 24

Triadimenol Specification

The Triadimenol is an organic compound with the formula . The IUPAC name of this chemical is 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol. With the CAS registry number 55219-65-3, it is also named as 2-(4-Chlorophenoxy)-1-tert-butyl-2-(1H-1,2,4-triazole-1-yl)ethanol. The product's categories are Insecticide; Pesticide. Besides, it should be stored in a closed place at temperature of 5 - 20 °C. It is a fungicide used to control powdery mildew and cereal crops smut.

Physical properties about Triadimenol are: (1)ACD/LogP: 3.04; (2)ACD/LogD (pH 5.5): 3.04; (3)ACD/LogD (pH 7.4): 3.04; (4)ACD/BCF (pH 5.5): 121.21; (5)ACD/BCF (pH 7.4): 121.28; (6)ACD/KOC (pH 5.5): 1078.78; (7)ACD/KOC (pH 7.4): 1079.42; (8)#H bond acceptors: 5; (9) #H bond donors: 1; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 49.17 Å2; (12)Index of Refraction: 1.579; (13)Molar Refractivity: 78.85 cm3; (14)Molar Volume: 237 cm3; (15)Polarizability: 31.25×10-24cm3; (16)Surface Tension: 42.4 dyne/cm; (17)Density: 1.24 g/cm3; (18)Flash Point: 235.3 °C; (19)Enthalpy of Vaporization: 76.59 kJ/mol; (20)Boiling Point: 465.4 °C at 760 mmHg; (21)Vapour Pressure: 1.84E-09 mmHg at 25°C.

Preparation: this chemical can be prepared by Triadimefon.

When you are using this chemical, please be cautious about it as the following:
It is highly flammable and harmful by inhalation, in contact with skin and if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes and harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. When you are using it, wear suitable protective clothing and do not breathe dust. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2ccc(OC(n1ncnc1)C(O)C(C)(C)C)cc2
(2)InChI: InChI=1/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3
(3)InChIKey: BAZVSMNPJJMILC-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3
(5)Std. InChIKey: BAZVSMNPJJMILC-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
bird - domestic LD50 oral > 1gm/kg (1000mg/kg)   "Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A402, Pg. 1985,
bird - domestic LD50 unreported > 10gm/kg (10000mg/kg)   Defense des Vegetaux. Vol. 36, Pg. 126, 1982.
chicken LD50 oral > 2gm/kg (2000mg/kg)   "Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A402, Pg. 1985,
chicken LDLo unreported > 2gm/kg (2000mg/kg)   Defense des Vegetaux. Vol. 39(235), Pg. 2, 1985.
mouse LC50 inhalation 3gm/m3 (3000mg/m3) BEHAVIORAL: MUSCLE WEAKNESS Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 55(9), Pg. 40, 1990.
mouse LD50 oral 3250mg/kg (3250mg/kg) BEHAVIORAL: MUSCLE WEAKNESS Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 55(9), Pg. 40, 1990.
quail LD50 oral > 10gm/kg (10000mg/kg)   "Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A402, Pg. 1985,
quail LDLo unreported > 10gm/kg (10000mg/kg)   Defense des Vegetaux. Vol. 39(235), Pg. 2, 1985.
rabbit LD50 oral 1500mg/kg (1500mg/kg) BEHAVIORAL: MUSCLE WEAKNESS Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 55(9), Pg. 40, 1990.
rat LC50 inhalation 3060mg/m3 (3060mg/m3) BEHAVIORAL: MUSCLE WEAKNESS Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 55(9), Pg. 40, 1990.
rat LD50 oral 3800mg/kg (3800mg/kg) BEHAVIORAL: MUSCLE WEAKNESS Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 55(9), Pg. 40, 1990.
rat LD50 skin > 5gm/kg (5000mg/kg)   Pesticide Manual. Vol. 9, Pg. 833, 1991.

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