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| CAS No.: | 63285-84-7 |
|---|---|
| Name: | 3-Phenoxythiophene |
| Article Data: | 9 |
| Molecular Structure: | |
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|
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| Formula: | C10H8OS |
| Molecular Weight: | 176.239 |
| Synonyms: | BUTTPARK 93\04-15;AKOS 92063;3-PHENOXYTHIOPHENE;3-Phenoxythiophene 97% |
| Density: | 1.178 g/cm3 |
| Melting Point: | -19 °C |
| Boiling Point: | 258 °C at 760 mmHg |
| Flash Point: | 109.9 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 20/21/22 |
| Safety: | 26-36/37 |
| PSA: | 37.47000 |
| LogP: | 3.54040 |
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- Total:17 Page 1 of 1 1
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Specification
The 3-Phenoxythiophene, with CAS registry number 63285-84-7, belongs to the following product category: Ring Systems. It has the systematic name of 3-phenoxythiophene. Besides this, it is also called thiophene, 3-phenoxy-. And the chemical formula of this chemical is C10H8OS.
Physical properties of 3-Phenoxythiophene: (1)ACD/LogP: 3.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.89; (4)ACD/LogD (pH 7.4): 3.89; (5)ACD/BCF (pH 5.5): 530.75; (6)ACD/BCF (pH 7.4): 530.75; (7)ACD/KOC (pH 5.5): 3105.13; (8)ACD/KOC (pH 7.4): 3105.13; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 37.47 Å2; (13)Index of Refraction: 1.599; (14)Molar Refractivity: 51.08 cm3; (15)Molar Volume: 149.4 cm3; (16)Polarizability: 20.24×10-24cm3; (17)Surface Tension: 42.4 dyne/cm; (18)Density: 1.178 g/cm3; (19)Flash Point: 109.9 °C; (20)Enthalpy of Vaporization: 47.56 kJ/mol; (21)Boiling Point: 258 °C at 760 mmHg; (22)Vapour Pressure: 0.0226 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The 3-Phenoxythiophene is harmful by inhalation, in contact with skin and if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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: O(c1ccccc1)c2ccsc2
(2)InChI: InChI=1/C10H8OS/c1-2-4-9(5-3-1)11-10-6-7-12-8-10/h1-8H
(3)InChIKey: DXSHUWUDKNEGFS-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C10H8OS/c1-2-4-9(5-3-1)11-10-6-7-12-8-10/h1-8H
(5)Std. InChIKey: DXSHUWUDKNEGFS-UHFFFAOYSA-N