CAS No.141573-95-7,Ethyl 3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	141573-95-7
Name:	Ethyl 3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylate
Article Data:	70

Formula:	C₈H₁₀F₂N₂O₂
Molecular Weight:	204.176
Synonyms:	1-Methyl-3-(difluoromethyl)pyrazole-4-carboxylicacid ethyl ester;3-Difluoromethyl-1-methylpyrazole-4-carboxylic acid ethylester;
Density:	1.307 g/cm³
Melting Point:	58-59 °C
Boiling Point:	288.448 °C at 760 mmHg
Flash Point:	128.249 °C
Solubility:	4.63g/L at 22℃
PSA:	44.12000
LogP:	1.53440

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Specification

This chemical is called Ethyl 3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylate, and it can also be named as 1H-pyrazole-4-carboxylic acid, 3-(difluoromethyl)-1-methyl-, ethyl ester. With the molecular formula of C₈H₁₀F₂N₂O₂, its molecular weight is 204.17. The CAS registry number of this chemical is 141573-95-7, and its product categories are Building Blocks; Pyrazole.

Other characteristics of the Ethyl 3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylate can be summarised as followings: (1)ACD/LogP: 0.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 4; (6)ACD/BCF (pH 7.4): 4; (7)ACD/KOC (pH 5.5): 89; (8)ACD/KOC (pH 7.4): 89; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 44.12 Å²; (13)Index of Refraction: 1.494; (14)Molar Refractivity: 45.484 cm³; (15)Molar Volume: 156.215 cm³; (16)Polarizability: 18.031×10^-24cm³; (17)Surface Tension: 32.318 dyne/cm; (18)Density: 1.307 g/cm³; (19)Flash Point: 128.249 °C; (20)Enthalpy of Vaporization: 52.769 kJ/mol; (21)Boiling Point: 288.448 °C at 760 mmHg; (22)Vapour Pressure: 0.002 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(OCC)c1c(nn(c1)C)C(F)F
2.InChI: InChI=1/C8H10F2N2O2/c1-3-14-8(13)5-4-12(2)11-6(5)7(9)10/h4,7H,3H2,1-2H3
3.InChIKey: MRQQMVMIANXDKC-UHFFFAOYAY