5-Bromo-1-p-tolyl-1H-pyrazole-4-carboxylic acid ethyl ester supplier

Name
5-Bromo-1-p-tolyl-1H-pyrazole-4-carboxylic acid ethyl ester
EINECS
CAS No. 959578-19-9
Density 1.43 g/cm³
Solubility
Melting Point 73～75℃
Formula C₁₃H₁₃BrN₂O₂
Boiling Point 386 °C at 760 mmHg
Molecular Weight 309.16
Flash Point 187.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ethyl 5-bromo-1-(p-tolyl)-1H-pyrazole-4-carboxylate;5-Bromo-1-p-tolyl-1H-pyrazole-4-carboxylic acid ethyl ester;ethyl 5-bromo-1-(4-methylphenyl)-1H-pyrazole-4-carboxylate;
PSA 44.12000
LogP 3.11990

5-Bromo-1-p-tolyl-1H-pyrazole-4-carboxylic acid ethyl ester Specification

The 5-Bromo-1-p-tolyl-1H-pyrazole-4-carboxylic acid ethyl ester has the CAS registry number 959578-19-9. This chemical's molecular formula is C₁₃H₁₃BrN₂O₂ and molecular weight is 309.16. What's more, its systematic name is ethyl 5-bromo-1-(4-methylphenyl)-1H-pyrazole-4-carboxylate.

Physical properties of 5-Bromo-1-p-tolyl-1H-pyrazole-4-carboxylic acid ethyl ester are: (1)ACD/LogP: 3.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.43; (4)ACD/LogD (pH 7.4): 3.43; (5)ACD/BCF (pH 5.5): 239.95; (6)ACD/BCF (pH 7.4): 239.95; (7)ACD/KOC (pH 5.5): 1759.11; (8)ACD/KOC (pH 7.4): 1759.11; (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: 1.602; (14)Molar Refractivity: 73.79 cm³; (15)Molar Volume: 215 cm³; (16)Polarizability: 29.25×10^-24cm³; (17)Surface Tension: 44 dyne/cm; (18)Density: 1.43 g/cm³; (19)Flash Point: 187.2 °C; (20)Enthalpy of Vaporization: 63.49 kJ/mol ; (21)Boiling Point: 386 °C at 760 mmHg; (22)Vapour Pressure: 3.66E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c2cnn(c1ccc(cc1)C)c2Br
(2)InChI: InChI=1S/C13H13BrN2O2/c1-3-18-13(17)11-8-15-16(12(11)14)10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3
(3)InChIKey: VWWHZUAFUZATJM-UHFFFAOYSA-N

Product Name

5-Bromo-1-p-tolyl-1H-pyrazole-4-carboxylic acid ethyl ester

5-Bromo-1-p-tolyl-1H-pyrazole-4-carboxylic acid ethyl ester Specification

Related Products

Hot Products