CAS No.129558-76-5,TOLFENPYRAD Suppliers

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Basic Information

Molecular Structure:
CAS No.:	129558-76-5
Name:	TOLFENPYRAD
Article Data:	3

Formula:	C₂₁H₂₂ClN₃O₂
Molecular Weight:	383.878
Synonyms:	4-Chloro-3-ethyl-1-methyl-N-[4-(p-tolyloxy)benzyl]pyrazole-5-carboxamide;4-Chloro-3-ethyl-1-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]-1H-pyrazole-5-carboxamide;Hachihachi EC;NAI 2302;OMI 88;Tolfenpyrad;
Density:	1.216 g/cm³
Melting Point:	87～89℃
Boiling Point:	539.982 °C at 760 mmHg
Flash Point:	280.371 °C
Hazard Symbols:	Xn,N
Risk Codes:	20/22-50/53
Safety:	60-61
PSA:	56.15000
LogP:	5.05750

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Specification

The Tolfenpyrad is an organic compound with the formula C₂₁H₂₂ClN₃O₂. The IUPAC name of this chemical is 4-chloro-5-ethyl-2-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyrazole-3-carboxamide. With the CAS registry number 129558-76-5, it is also named as 1H-Pyrazole-5-carboxamide, 4-chloro-3-ethyl-1-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]-.

Physical properties about Tolfenpyrad are: (1)ACD/LogP: 5.20; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5; (4)ACD/LogD (pH 7.4): 5; (5)ACD/BCF (pH 5.5): 1581; (6)ACD/BCF (pH 7.4): 1581; (7)ACD/KOC (pH 5.5): 6782; (8)ACD/KOC (pH 7.4): 6782; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 56.15 Å²; (13)Index of Refraction: 1.6; (14)Molar Refractivity: 108.032 cm³; (15)Molar Volume: 315.681 cm³; (16)Polarizability: 42.827×10^-24cm³; (17)Surface Tension: 42.402 dyne/cm; (18)Density: 1.216 g/cm³; (19)Flash Point: 280.371 °C; (20)Enthalpy of Vaporization: 81.752 kJ/mol; (21)Boiling Point: 539.982 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc3c(nn(c3C(=O)NCc2ccc(Oc1ccc(cc1)C)cc2)C)CC
(2)InChI: InChI=1/C21H22ClN3O2/c1-4-18-19(22)20(25(3)24-18)21(26)23-13-15-7-11-17(12-8-15)27-16-9-5-14(2)6-10-16/h5-12H,4,13H2,1-3H3,(H,23,26)
(3)InChIKey: WPALTCMYPARVNV-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C21H22ClN3O2/c1-4-18-19(22)20(25(3)24-18)21(26)23-13-15-7-11-17(12-8-15)27-16-9-5-14(2)6-10-16/h5-12H,4,13H2,1-3H3,(H,23,26)
(5)Std. InChIKey: WPALTCMYPARVNV-UHFFFAOYSA-N