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Tebufenpyrad

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Name

Tebufenpyrad

EINECS 242-070-7
CAS No. 119168-77-3 Density 1.13 g/cm3
PSA 46.92000 LogP 4.25430
Solubility N/A Melting Point 61-62oC
Formula C18H24ClN3O Boiling Point 468.4 °C at 760 mmHg
Molecular Weight 333.861 Flash Point 237.1 °C
Transport Information UN 2588 Appearance N/A
Safety 36 Risk Codes 22
Molecular Structure Molecular Structure of 119168-77-3 (4-Chloro-N-(4-tert-butylbenzyl)-3-ethyl-1-methyl-1H-pyrazole-5-carboxamide) Hazard Symbols HarmfulXn
Synonyms

AC 801757;Fenpyrad;MK 239;Masai;N-(4-tert-Butylbenzyl)-4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide;Pyranica;4-Chloro-N-(4-tert-butylbenzyl)-3-ethyl-1-methyl-1H-pyrazole-5-carboxamide;

Article Data 6

Tebufenpyrad Synthetic route

1-methyl-3-ethyl-4-chloro-1H-pyrazol-5-ylformylic acid chloride

39895-55-1

4-(1,1-dimethylethyl)-benzenemethanamine

119168-77-3

tebufenpyrad

Conditions
ConditionsYield
In toluene at 50℃; for 0.138889h; Time; Temperature;95.8%

4-chloro-5-ethyl-2-methyl-2H-pyrazole-3-carboxylic acid ethyl ester

39895-55-1

4-(1,1-dimethylethyl)-benzenemethanamine

119168-77-3

tebufenpyrad

Conditions
ConditionsYield
Stage #1: 4-(1,1-dimethylethyl)-benzenemethanamine With sodium hydride In tetrahydrofuran Inert atmosphere;
Stage #2: 4-chloro-5-ethyl-2-methyl-2H-pyrazole-3-carboxylic acid ethyl ester In tetrahydrofuran at 25℃; for 3h; Inert atmosphere;
75%

ethyl 4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide

39895-55-1

4-(1,1-dimethylethyl)-benzenemethanamine

119168-77-3

tebufenpyrad

Tebufenpyrad Specification

The Tebufenpyrad is an organic compound with the formula C18H24ClN3O. The IUPAC name of this chemical is N-[(4-tert-butylphenyl)methyl]-4-chloro-5-ethyl-2-methylpyrazole-3-carboxamide. With the CAS registry number 119168-77-3, it is also named as 4-Chlor-3-ethyl-1-methyl-N-[4-(2-methyl-2-propanyl)benzyl]-1H-pyrazol-5-carboxamid. The product's categories are Herbicide; Insecticide. Besides, it should be stored in a closed place at temperature of 0 - 6 °C. It is a pyrazole acaricide and insecticide commonly used in commercial greenhouses.

Physical properties about Tebufenpyrad are: (1)ACD/LogP: 3.75; (2)ACD/LogD (pH 5.5): 3.75; (3)ACD/LogD (pH 7.4): 3.75; (4)ACD/BCF (pH 5.5): 415.57; (5)ACD/BCF (pH 7.4): 415.57; (6)ACD/KOC (pH 5.5): 2606.34; (7)ACD/KOC (pH 7.4): 2606.34; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 38.13 Å2; (12)Index of Refraction: 1.565; (13)Molar Refractivity: 95.52 cm3; (14)Molar Volume: 293.1 cm3; (15)Polarizability: 37.86×10-24cm3; (16)Surface Tension: 37.4 dyne/cm; (17)Density: 1.13 g/cm3; (18)Flash Point: 237.1 °C; (19)Enthalpy of Vaporization: 73.06 kJ/mol; (20)Boiling Point: 468.4 °C at 760 mmHg; (21)Vapour Pressure: 5.99E-09 mmHg at 25°C.

Preparation: this chemical can be prepared by diethyl oxalate and methyl ethyl ketone. This reaction will need reagent Ethanol or toluene.

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. When you are using it, wear suitable suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2c(nn(c2C(=O)NCc1ccc(cc1)C(C)(C)C)C)CC
(2)InChI: InChI=1/C18H24ClN3O/c1-6-14-15(19)16(22(5)21-14)17(23)20-11-12-7-9-13(10-8-12)18(2,3)4/h7-10H,6,11H2,1-5H3,(H,20,23)
(3)InChIKey: ZZYSLNWGKKDOML-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C18H24ClN3O/c1-6-14-15(19)16(22(5)21-14)17(23)20-11-12-7-9-13(10-8-12)18(2,3)4/h7-10H,6,11H2,1-5H3,(H,20,23)
(5)Std. InChIKey: ZZYSLNWGKKDOML-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 210mg/kg (210mg/kg) BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 20, Pg. 555, 1995.
rabbit LDLo oral 100mg/kg (100mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 20, Pg. 555, 1995.
rat LC50 inhalation 2660mg/m3 (2660mg/m3)   Agrochemcicals Japan. Vol. (64), Pg. 12, 1994.
rat LD50 oral 595mg/kg (595mg/kg)   Agrochemcicals Japan. Vol. (64), Pg. 12, 1994.
rat LD50 skin > 2gm/kg (2000mg/kg)   Agrochemcicals Japan. Vol. (64), Pg. 12, 1994.

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