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| CAS No.: | 50907-20-5 |
|---|---|
| Name: | 5-(3-FLUOROPHENYL)-1H-TETRAZOLE |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C7H5FN4 |
| Molecular Weight: | 164.142 |
| Synonyms: | 5-(3-FLUORO-PHENYL)-2H-TETRAZOLE;5-(3-FLUOROPHENYL)-1H-TETRAZOLE;BUTTPARK 32\02-07 |
| EINECS: | -0 |
| Density: | 1.403 g/cm3 |
| Melting Point: | 142-144 °C |
| Boiling Point: | 335.5 °C at 760 mmHg |
| Flash Point: | 156.7 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 54.46000 |
| LogP: | 1.00580 |
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- Total:20 Page 1 of 1 1
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Specification
The 5-(3-Fluorophenyl)-2H-tetrazole is an organic compound with the formula C7H5FN4. The IUPAC name of this chemical is 5-(3-Fluorophenyl)-2H-tetrazole. With the CAS registry number 50907-20-5, it is also named as 1H-Tetrazole, 5-(3-fluorophenyl)-. Besides, it should be stored in a cool, sealed, dry and well-ventilated place.
The physical properties of 5-(3-Fluorophenyl)-2H-tetrazole are: (1)ACD/LogP: 1.90; (2)ACD/LogD (pH 5.5): 0.47; (3)ACD/LogD (pH 7.4): -0.09; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 9.72; (7)ACD/KOC (pH 7.4): 2.64; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 43.6 Å2; (12)Index of Refraction: 1.591; (13)Molar Refractivity: 39.54 cm3; (14)Molar Volume: 116.9 cm3; (15)Polarizability: 15.67×10-24 cm3; (16)Surface Tension: 63.3 dyne/cm; (17)Density: 1.403 g/cm3; (18)Flash Point: 156.7 °C; (19)Enthalpy of Vaporization: 57.85 kJ/mol; (20)Boiling Point: 335.5 °C at 760 mmHg; (21)Vapour Pressure: 0.00012 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cccc(c1)c2nnnn2
(2)InChI: InChI=1/C7H5FN4/c8-6-3-1-2-5(4-6)7-9-11-12-10-7/h1-4H,(H,9,10,11,12)
(3)InChIKey: SEYSTLGMSOLFBD-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C7H5FN4/c8-6-3-1-2-5(4-6)7-9-11-12-10-7/h1-4H,(H,9,10,11,12)
(5)Std. InChIKey: SEYSTLGMSOLFBD-UHFFFAOYSA-N