CAS No.916791-97-4,Ethyl 3-tert-butyl-1H-pyrazole-5-carboxylate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	916791-97-4
Name:	Ethyl 3-tert-butyl-1H-pyrazole-5-carboxylate
Article Data:	17

Formula:	C₁₀H₁₆N₂O₂
Molecular Weight:	196.249
Synonyms:	1H-Pyrazole-5-carboxylic acid, 3-(1,1-dimethylethyl)-, ethyl ester;3-tert-Butyl-1H-pyrazole-5-carboxylic acid ethyl ester;Ethyl 5-(1,1-dimethylethyl)-1H-pyrazole-3-carboxylate;
Density:	1.077 g/cm³
Boiling Point:	322.3 °C at 760 mmHg
Flash Point:	148.7 °C
PSA:	54.98000
LogP:	1.88390

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Specification

The CAS registry number of Ethyl 3-tert-butyl-1H-pyrazole-5-carboxylate is 916791-97-4. The IUPAC name is ethyl 5-tert-butyl-1H-pyrazole-3-carboxylate. In addition, the molecular formula is C₁₀H₁₆N₂O₂ and the molecular weight is 196.2462. It should be stored in a cool and dry place.

Physical properties about Ethyl 3-tert-butyl-1H-pyrazole-5-carboxylate are: (1)ACD/LogP: 2.52 ; (2)ACD/LogD (pH 5.5): 2.51; (3)ACD/LogD (pH 7.4): 2.51; (4)ACD/BCF (pH 5.5): 47.98; (5)ACD/BCF (pH 7.4): 47.98; (6)ACD/KOC (pH 5.5): 555.82; (7)ACD/KOC (pH 7.4): 555.81; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 44.12 Å²; (12)Index of Refraction: 1.5; (13)Molar Refractivity: 53.57 cm³; (14)Molar Volume: 182 cm³; (15)Polarizability: 21.23 ×10^-24cm³; (16)Surface Tension: 38.5 dyne/cm; (17)Density: 1.077 g/cm³; (18)Flash Point: 148.7 °C; (19)Enthalpy of Vaporization: 56.42 kJ/mol; (20)Boiling Point: 322.3 °C at 760 mmHg; (21)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