Ethyl 5-fluoro-1-phenyl-1H-pyrazole-4-carboxylate supplier

Name
Ethyl 5-fluoro-1-phenyl-1H-pyrazole-4-carboxylate
EINECS
CAS No. 1269294-15-6
Density 1.232 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₁FN₂O₂
Boiling Point 343.608 °C at 760 mmHg
Molecular Weight 234.2263
Flash Point 161.609 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ethyl 5-fluoro-1-phenyl-pyrazole-4-carboxylate;
PSA 44.12000
LogP 2.18810

Ethyl 5-fluoro-1-phenyl-1H-pyrazole-4-carboxylate Specification

The Ethyl 5-fluoro-1-phenyl-1H-pyrazole-4-carboxylate has CAS registry number 1269294-15-6. This chemical's molecular formula is C₁₂H₁₁FN₂O₂ and molecular weight is 234.2263. What's more, its systematic name is Ethyl 5-fluoro-1-phenyl-pyrazole-4-carboxylate.

Physical properties about Ethyl 5-fluoro-1-phenyl-1H-pyrazole-4-carboxylate are: (1)ACD/LogP: 2.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.197; (4)ACD/LogD (pH 7.4): 2.197; (5)ACD/BCF (pH 5.5): 27.543; (6)ACD/BCF (pH 7.4): 27.543; (7)ACD/KOC (pH 5.5): 373.576; (8)ACD/KOC (pH 7.4): 373.576; (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: 1.562; (14)Molar Refractivity: 61.686 cm³; (15)Molar Volume: 190.106 cm³; (16)Polarizability: 24.454×10^-24 cm³; (17)Surface Tension: 40.456 dyne/cm; (18)Density: 1.232 g/cm³; (19)Flash Point: 161.609 °C; (20)Enthalpy of Vaporization: 58.749 kJ/mol; (21)Boiling Point: 343.608 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CCOC(=O)c1cnn(c1F)c2ccccc2
(2) InChI: InChI=1/C12H11FN2O2/c1-2-17-12(16)10-8-14-15(11(10)13)9-6-4-3-5-7-9/h3-8H,2H2,1H3
(3) InChIKey: KLWAPHJHTJFBAF-UHFFFAOYAN

Product Name

Ethyl 5-fluoro-1-phenyl-1H-pyrazole-4-carboxylate

Ethyl 5-fluoro-1-phenyl-1H-pyrazole-4-carboxylate Specification

Related Products

Hot Products