CAS No.55219-65-3,Triadimenol Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	55219-65-3
Name:	Triadimenol
Article Data:	24

Formula:	C₁₄H₁₈ClN₃O₂
Molecular Weight:	295.769
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;
EINECS:	259-537-6
Density:	1.24 g/cm³
Melting Point:	110ºC
Boiling Point:	465.4 °C at 760 mmHg
Flash Point:	235.3 °C
Solubility:	A 62 mg l-1 (20 °C); B 33 mg l-1(20 °C)
Appearance:	powder
Hazard Symbols:	Xn, F, T
Risk Codes:	22-52/53-36-20/21/22-11-23
Safety:	22-61-36-26-45
Transport Information:	UN 2588
PSA:	60.17000
LogP:	2.91610

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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.