Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Ethyl 5-(tert-butyl)-2H-pyrazole-3-carboxylate |
EINECS | N/A |
CAS No. | 83405-70-3 | Density | 1.077 g/cm3 |
PSA | 54.98000 | LogP | 1.88390 |
Solubility | N/A | Melting Point |
141-144°C |
Formula | C10H16N2O2 | Boiling Point | 322.3 °C at 760 mmHg |
Molecular Weight | 196.249 | Flash Point | 148.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 24/25 | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
5-tert-Butyl-1H-pyrazole-3-carboxylicacid ethyl ester;Ethyl 3-tert-butyl-2H-pyrazole-5-carboxylate;Ethyl5-(1,1-dimethylethyl)-1H-pyrazole-3-carboxylate;Ethyl5-tert-butyl-2H-pyrazole-3-carboxylate; |
Article Data | 17 |
The Ethyl 5-(tert-butyl)-2H-pyrazole-3-carboxylate with the CAS number 83405-70-3 is also called 1H-Pyrazole-3-carboxylicacid, 5-(1,1-dimethylethyl)-, ethyl ester. The systematic name is ethyl 5-tert-butyl-1H-pyrazole-3-carboxylate. Its molecular formula is C10H16N2O2.
The properties of the chemical are: (1)ACD/LogP: 2.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.51; (4)ACD/LogD (pH 7.4): 2.51; (5)ACD/BCF (pH 5.5): 47.98; (6)ACD/BCF (pH 7.4): 47.98; (7)ACD/KOC (pH 5.5): 555.82; (8)ACD/KOC (pH 7.4): 555.81; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 44.12 Å2; (13)Index of Refraction: 1.5; (14)Molar Refractivity: 53.57 cm3; (15)Molar Volume: 182 cm3; (16)Polarizability: 21.23×10-24cm3; (17)Surface Tension: 38.5 dyne/cm; (18)Enthalpy of Vaporization: 56.42 kJ/mol; (19)Vapour Pressure: 0.000281 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c1nnc(c1)C(C)(C)C
(2)InChI: InChI=1/C10H16N2O2/c1-5-14-9(13)7-6-8(12-11-7)10(2,3)4/h6H,5H2,1-4H3,(H,11,12)
(3)InChIKey: RCXMILPYEKVQLB-UHFFFAOYAK