Ethyl pyrazole-3-carboxylate supplier

Name
Ethyl pyrazole-3-carboxylate
EINECS
CAS No. 5932-27-4
Article Data47
CAS DataBase
Density 1.214 g/cm³
Solubility
Melting Point 158-160 °C
Formula C₆H₈N₂O₂
Boiling Point 279.2 °C at 760 mmHg
Molecular Weight 140.142
Flash Point 122.7 °C
Transport Information
Appearance
Safety 26-37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Pyrazole-3(or5)-carboxylic acid, ethyl ester (7CI);Pyrazole-3-carboxylic acid, ethyl ester(6CI,8CI);3-(Ethoxycarbonyl)pyrazole;3-Ethoxycarbonyl-1H-pyrazole;5-Carbethoxypyrazole;Ethyl1H-pyrazole-3-carboxylate;
PSA 54.98000
LogP 0.58640

Ethyl pyrazole-3-carboxylate Specification

The CAS registry number of Ethyl pyrazole-3-carboxylate is 5932-27-4. In addition, the molecular formula is C₆H₈N₂O₂ and the molecular weight is 140.14. The IUPAC name is ethyl 1H-pyrazole-5-carboxylate. What's more, it is a irritating chemical and should be stored in a cool and dry place.

Physical properties about this chemical are: (1)ACD/LogP: 0.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.83; (4)ACD/LogD (pH 7.4): 0.83; (5)ACD/BCF (pH 5.5): 2.5; (6)ACD/BCF (pH 7.4): 2.5; (7)ACD/KOC (pH 5.5): 67.06; (8)ACD/KOC (pH 7.4): 67.05; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 44.12 Å²; (13)Index of Refraction: 1.521; (14)Molar Refractivity: 35.18 cm³; (15)Molar Volume: 115.3 cm³; (16)Polarizability: 13.94×10^-24cm³; (17)Surface Tension: 49.2 dyne/cm; (18)Density: 1.214 g/cm³; (19)Flash Point: 122.7 °C; (20)Enthalpy of Vaporization: 51.79 kJ/mol; (21)Boiling Point: 279.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00407 mmHg at 25°C.

Preparation of Ethyl pyrazole-3-carboxylate: it can be prepared by 1(2)H-pyrazole-3-carboxylic acid and ethanol. This reaction will need reagent H₂SO₄. The reaction time is 5 hours by heating. The yield is about 85%.

Ethyl pyrazole-3-carboxylate can be prepared by 1(2)H-pyrazole-3-carboxylic acid and etha

Uses of Ethyl pyrazole-3-carboxylate: it can be used to get (1(2)H-pyrazol-3-yl)-methanol. This reaction will need reagent LiAlH₄ and solvent tetrahydrofuran. The reaction time is 1 hour with ambient temperature. The yield is about 71%.

Ethyl pyrazole-3-carboxylate can be used to get (1(2)H-pyrazol-3-yl)-methanol.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c1ccnn1
(2)InChI: InChI=1/C6H8N2O2/c1-2-10-6(9)5-3-4-7-8-5/h3-4H,2H2,1H3,(H,7,8)
(3)InChIKey: MSPOSRHJXMILNK-UHFFFAOYAY

Product Name

Ethyl pyrazole-3-carboxylate

Ethyl pyrazole-3-carboxylate Specification

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