5-Chloro-1-(4-nitrophenyl)-1H-pyrazole-4-carboxylic acid ethyl ester supplier

Name
Ethyl 5-chloro-1-(4-nitrophenyl)-1H-pyrazole-4-carboxylate
EINECS
CAS No. 110821-37-9
Density 1.464 g/cm³
Solubility
Melting Point 131-132°C
Formula C₁₂H₁₀ClN₃O₄
Boiling Point 439.401 °C at 760 mmHg
Molecular Weight 295.68
Flash Point 219.542 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms LogP
PSA 89.94000
LogP 3.13380

5-Chloro-1-(4-nitrophenyl)-1H-pyrazole-4-carboxylic acid ethyl ester Specification

This chemical is called Ethyl 5-chloro-1-(4-nitrophenyl)-1H-pyrazole-4-carboxylate. With the molecular formula of C₁₂H₁₀ClN₃O₄, its molecular weight is 295.68. The CAS registry number of this chemical is 110821-37-9.

Other characteristics of the Ethyl 5-chloro-1-(4-nitrophenyl)-1H-pyrazole-4-carboxylate can be summarised as followings: (1)ACD/LogP: 2.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 121; (6)ACD/BCF (pH 7.4): 121; (7)ACD/KOC (pH 5.5): 1079; (8)ACD/KOC (pH 7.4): 1079; (9)#H bond acceptors: 7; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 89.94 Å²; (13)Index of Refraction: 1.633; (14)Molar Refractivity: 72.076 cm³; (15)Molar Volume: 201.902 cm³; (16)Polarizability: 28.573×10^-24cm³; (17)Surface Tension: 56.517 dyne/cm; (18)Density: 1.464 g/cm³; (19)Flash Point: 219.542 °C; (20)Enthalpy of Vaporization: 69.635 kJ/mol; (21)Boiling Point: 439.401 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: [O-][N+](=O)c1ccc(cc1)n2ncc(c2Cl)C(=O)OCC
2.InChI: InChI=1/C12H10ClN3O4/c1-2-20-12(17)10-7-14-15(11(10)13)8-3-5-9(6-4-8)16(18)19/h3-7H,2H2,1H3
3.InChIKey: DFONJFIUUOSJLQ-UHFFFAOYAE

Product Name

Ethyl 5-chloro-1-(4-nitrophenyl)-1H-pyrazole-4-carboxylate

5-Chloro-1-(4-nitrophenyl)-1H-pyrazole-4-carboxylic acid ethyl ester Specification

Related Products

Hot Products