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CAS No.: | 89943-03-3 |
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Name: | 4-(1-PYRAZOLYL)-2-BUTANONE |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C7H10N2O |
Molecular Weight: | 138.169 |
Synonyms: | 4-(1H-Pyrazol-1-yl)-2-butanone;2-Butanone,4-pyrazol-1-yl- (7CI); |
Density: | 1.07 g/cm3 |
Boiling Point: | 245.8 °C at 760 mmHg |
Flash Point: | 102.5 °C |
Appearance: | clear orange liquid |
PSA: | 34.89000 |
LogP: | 0.86220 |
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The 2-Butanone,4-(1H-pyrazol-1-yl)-, with CAS registry number 89943-03-3, has the systematic name of 4-(1H-pyrazol-1-yl)butan-2-one. Besides this, it is also called 4-(1-Pyrazolyl)-2-butanone. This chemical is a kind of clear orange liquid. And the chemical formula of this chemical is C7H10N2O.
Physical properties of 2-Butanone,4-(1H-pyrazol-1-yl)-: (1)ACD/LogP: 0.10; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 34.89 Å2; (7)Index of Refraction: 1.534; (8)Molar Refractivity: 39.93 cm3; (9)Molar Volume: 128.4 cm3; (10)Polarizability: 15.82×10-24cm3; (11)Surface Tension: 39.4 dyne/cm; (12)Density: 1.07 g/cm3; (13)Flash Point: 102.5 °C; (14)Enthalpy of Vaporization: 48.29 kJ/mol; (15)Boiling Point: 245.8 °C at 760 mmHg; (16)Vapour Pressure: 0.0281 mmHg at 25°C.
Uses of 2-Butanone,4-(1H-pyrazol-1-yl)-: it can be used to produce ethyl-(1-methyl-3-pyrazol-1-yl-propyl)-amine. This reaction will need reagents 5N HCl, NaBH3CN and solvent methanol. The reaction time is 3 day(s). The yield is about 38%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(CCn1nccc1)C
(2)InChI: InChI=1/C7H10N2O/c1-7(10)3-6-9-5-2-4-8-9/h2,4-5H,3,6H2,1H3
(3)InChIKey: YGSSCNXKGBWTBR-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C7H10N2O/c1-7(10)3-6-9-5-2-4-8-9/h2,4-5H,3,6H2,1H3
(5)Std. InChIKey: YGSSCNXKGBWTBR-UHFFFAOYSA-N