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| CAS No.: | 134356-74-4 |
|---|---|
| Name: | (S)-(4-Fluorophenyl)oxirane |
| Article Data: | 115 |
| Molecular Structure: | |
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|
|
| Formula: | C8H7FO |
| Molecular Weight: | 138.141 |
| Synonyms: | (S)-(4-Fluorophenyl)oxirane |
| Density: | 1.225 g/cm3 |
| Boiling Point: | 191.7 °C at 760 mmHg |
| Flash Point: | 67.8 °C |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 10-21/22-36/37/38-40 |
| Safety: | 26-36/37 |
| PSA: | 12.53000 |
| LogP: | 1.89700 |
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Specification
The (S)-(4-Fluorophenyl)oxirane is an organic compound with the formula C8H7FO. The systematic name of this chemical is (2S)-2-(4-fluorophenyl)oxirane. With the CAS registry number 134356-74-4, it is also named as oxirane, 2-(4-fluorophenyl)-, (2S)-.
Physical properties about (S)-(4-Fluorophenyl)oxirane are: (1)ACD/LogP: 1.66; (2)ACD/LogD (pH 5.5): 1.66; (3)ACD/LogD (pH 7.4): 1.66; (4)ACD/BCF (pH 5.5): 10.79; (5)ACD/BCF (pH 7.4): 10.79; (6)ACD/KOC (pH 5.5): 190.97; (7)ACD/KOC (pH 7.4): 190.97; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 12.53 Å2; (11)Index of Refraction: 1.538; (12)Molar Refractivity: 35.26 cm3; (13)Molar Volume: 112.6 cm3; (14)Polarizability: 13.98×10-24cm3; (15)Surface Tension: 41 dyne/cm; (16)Density: 1.225 g/cm3; (17)Flash Point: 67.8 °C; (18)Enthalpy of Vaporization: 41.03 kJ/mol; (19)Boiling Point: 191.7 °C at 760 mmHg; (20)Vapour Pressure: 0.707 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is flammable and harmful by inhalation, in contact with skin and if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin and limited evidence of a carcinogenic effect. When you are using it, wear suitable protective clothing and gloves.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(cc1)[C@@H]2OC2
(2)InChI: InChI=1/C8H7FO/c9-7-3-1-6(2-4-7)8-5-10-8/h1-4,8H,5H2/t8-/m1/s1
(3)InChIKey: ICVNPQMUUHPPOK-MRVPVSSYBA
(4)Std. InChI: InChI=1S/C8H7FO/c9-7-3-1-6(2-4-7)8-5-10-8/h1-4,8H,5H2/t8-/m1/s1
(5)Std. InChIKey: ICVNPQMUUHPPOK-MRVPVSSYSA-N