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| CAS No.: | 852443-61-9 |
|---|---|
| Name: | 1H-Pyrazol-3-amine, 5-(trifluoromethyl)- |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C4H4F3N3 |
| Molecular Weight: | 151.091 |
| Synonyms: | 3-(Trifluoromethyl)-2H-pyrazol-5-amine |
| Density: | 1.561g/cm3 |
| Melting Point: | 82-84 °C |
| Boiling Point: | 289.984°C at 760mmHg |
| Flash Point: | 129.178°C |
| PSA: | 55.43000 |
| LogP: | 0.94080 |
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- Total:24 Page 1 of 1 1
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Specification
The 3-(Trifluoromethyl)-2H-pyrazol-5-amine is an organic compound with the formula C4H4F3N3. The systematic/IUPAC name of this chemical is 5-(trifluoromethyl)-1H-pyrazol-3-amine. With the CAS registry number 852443-61-9, it is also named as 3-(Trifluoromethyl)-2H-pyrazol-5-amine ; 5-(Trifluoromethyl)-1H-pyrazol-3-amine . Besides, its molecular weight is 151.0899. When you are using this chemical, please be cautious about it as the following: it is harmful by inhalation, in contact with skin and if swallowed.
The physical properties of this chemical are: (1)ACD/LogP: 0.29; (2)ACD/BCF(pH5.5): 1; (3)ACD/BCF(pH7.4): 1; (4)ACD/KOC(pH5.5): 44; (5)ACD/KOC(pH7.4): 44; (6)#H bond acceptors: 3; (7)#H bond donors: 3; (8)#Freely RotatingBonds: 1; (9)Polar SurfaceArea: 54.7 Å2; (10)Index of Refraction: 1.49; (11)Molar Refractivity: 27.993 cm3; (12)Molar Volume: 96.77 cm3; (13)Polarizability: 11.097×10-24 cm3; (14)SurfaceTension: 40.464 dyne/cm; (15)Density: 1.561 g/cm3; (16)FlashPoint: 129.178 °C; (17)Enthalpy of Vaporization: 52.932 kJ/mol; (18)Boiling Point:289.984 °C at 760 mmHg; (19)Vapour Pressure: 0.002 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES:FC(F)(F)c1cc(N)nn1;
(2)InChI:InChI=1/C4H4F3N3/c5-4(6,7)2-1-3(8)10-9-2/h1H,(H3,8,9,10);
(3)InChIKey:WVORIWCOSAWJJE-UHFFFAOYAP;
(4)Std. InChI:InChI=1S/C4H4F3N3/c5-4(6,7)2-1-3(8)10-9-2/h1H,(H3,8,9,10);
(5)Std. InChIKey:WVORIWCOSAWJJE-UHFFFAOYSA-N