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CAS No.: | 1072952-32-9 |
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Name: | 4-(TRIFLUOROMETHYL)PYRIDINE-3-BORONIC ACID HYDRATE |
Molecular Structure: | |
Formula: | C6H7BF3NO2 |
Molecular Weight: | 208.93 |
Synonyms: | [4-(Trifluoromethyl)-3-pyridyl]boronic acid hydrate; |
Boiling Point: | 417 °C at 760 mmHg |
Flash Point: | 206 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36 |
Safety: | 26 |
PSA: | 62.58000 |
LogP: | -0.28410 |
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The chemical with CAS registry number of 1072952-32-9 is known as 4-Trifluoromethylpyridine-3-boronic acid hydrate. The systematic name is [4-(Trifluoromethyl)-3-pyridyl]boronic acid hydrate. In addition, the formula is C6H5BF3NO2 and the molecular weight is 208.93.
Physical properties about 4-Trifluoromethylpyridine-3-boronic acid hydrate are: (1)#H bond acceptors: 4; (2)#H bond donors: 4; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 53.35Å2; (5)Flash Point: 206 °C; (6)Enthalpy of Vaporization: 70.67 kJ/mol; (7)Boiling Point: 417 °C at 760 mmHg; (8)Vapour Pressure: 1.07E-07 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1. SMILES: B(c1cnccc1C(F)(F)F)(O)O.O
2. InChI: InChI=1/C6H5BF3NO2.H2O/c8-6(9,10)4-1-2-11-3-5(4)7(12)13;/h1-3,12-13H;1H2
3. InChIKey: CKGIYHYJVBVRFH-UHFFFAOYAF
4. Std. InChI: InChI=1S/C6H5BF3NO2.H2O/c8-6(9,10)4-1-2-11-3-5(4)7(12)13;/h1-3,12-13H;1H2
5. Std. InChIKey: CKGIYHYJVBVRFH-UHFFFAOYSA-N