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

Name
5-Bromo-1-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester
EINECS
CAS No. 98534-71-5
Article Data3
CAS DataBase
Density 1.477 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₁BrN₂O₂
Boiling Point 375.053 °C at 760 mmHg
Molecular Weight 295.13
Flash Point 180.626 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ethyl 5-bromo-1-phenyl-1H-pyrazole-4-carboxylate;
PSA 44.12000
LogP 2.81150

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

The 5-Bromo-1-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester has the CAS registry number 98534-71-5. This chemical's molecular formula is C₁₂H₁₁BrN₂O₂ and molecular weight is 295.13. What's more, its systematic name is Ethyl 5-bromo-1-phenyl-1H-pyrazole-4-carboxylate.

Physical properties of 5-Bromo-1-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester are: (1)ACD/LogP: 2.86; (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): 107; (6)ACD/BCF (pH 7.4): 107; (7)ACD/KOC (pH 5.5): 989; (8)ACD/KOC (pH 7.4): 989; (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: 1.611; (14)Molar Refractivity: 69.372 cm³; (15)Molar Volume: 199.768 cm³; (16)Polarizability: 27.501×10^-24cm³; (17)Surface Tension: 46.914 dyne/cm; (18)Density: 1.477 g/cm³; (19)Flash Point: 180.626 °C; (20)Enthalpy of Vaporization: 62.252 kJ/mol; (21)Boiling Point: 375.053 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)c2cnn(c1ccccc1)c2Br
(2)InChI: InChI=1S/C12H11BrN2O2/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: JLHHULMEYIHSNI-UHFFFAOYSA-N

Product Name

5-Bromo-1-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester

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

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