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| CAS No.: | 17573-92-1 |
|---|---|
| Name: | 3-Methoxythiophene |
| Article Data: | 1 |
| Molecular Structure: | |
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| Formula: | C5H6OS |
| Molecular Weight: | 114.168 |
| Synonyms: | 3-Methoxythiofuran;Methyl 3-thienyl ether; |
| EINECS: | -0 |
| Density: | 1.109 g/cm3 |
| Melting Point: | -7ºC |
| Boiling Point: | 155.712 °C at 760 mmHg |
| Flash Point: | 49.444 °C |
| Appearance: | Clear, colorless to pale yellow liquid |
| Hazard Symbols: | R10:; |
| Risk Codes: | 10 |
| Safety: | 16-27-36/37/39 |
| Transport Information: | UN 1993 3/PG 3 |
| PSA: | 37.47000 |
| LogP: | 1.75670 |
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Specification
The 3-Methoxythiophene, with the CAS registry number 17573-92-1, is also known as Thiophene, 3-methoxy-. It belongs to the product categories of Thiophenes; Sulphur Derivatives; Thiophene & Benzothiophene; Thiophens; Functional Materials; Reagents for Conducting Polymer Research; Thiophene Derivatives (for Conduting Polymer Research); Thiophen; Building Blocks; Heterocyclic Building Blocks; Thiophene Series. This chemical's molecular formula is C5H6OS and molecular weight is 114.17. What's more, its IUPAC name is the same with its product name. It should be stored in a cool, dry and well-ventilated place.
Physical properties about 3-Methoxythiophene are: (1)ACD/LogP: 1.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.71; (4)ACD/LogD (pH 7.4): 1.71; (5)ACD/BCF (pH 5.5): 11.73; (6)ACD/BCF (pH 7.4): 11.73; (7)ACD/KOC (pH 5.5): 202.80; (8)ACD/KOC (pH 7.4): 202.80; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 37.47 Å2;(13)Index of Refraction: 1.521; (14)Molar Refractivity: 31.316 cm3; (15)Molar Volume: 102.915 cm3; (16)Polarizability: 12.414×10-24 cm3; (17)Surface Tension: 33.236 dyne/cm; (18)Density: 1.109 g/cm3; (19)Flash Point: 49.444 °C; (20)Enthalpy of Vaporization: 37.628 kJ/mol; (21)Boiling Point: 155.712 °C at 760 mmHg; (22)Vapour Pressure: 3.853 mmHg at 25 °C.
Preparation of 3-Methoxythiophene: this chemical can be prepared by methanol; sodium salt with 2-bromo-thiophene. This reaction needs reagent copper(I) bromide at temperature of 110 °C. The reaction time is 45 min. The yield is 88 %.
Uses of 3-Methoxythiophene: it is used to produce other chemicals. For example, it can react with 3-methyl-but-2-enoyl chloride to get 3-methoxy-2-(3-methyl-1-oxo-2-buten-1-yl)thiophene. The reaction occurs with reagent tin(IV) chloride and CH2Cl2. The reaction time is 1 hour. The yield is 81 %.
When you are dealing with this chemical, you should be very careful. This chemical is flammable. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. You must keep away from sources of ignition and take off immediately all contaminated clothing. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: O(c1ccsc1)C
(2) InChI: InChI=1S/C5H6OS/c1-6-5-2-3-7-4-5/h2-4H,1H3
(3) InChIKey: RFSKGCVUDQRZSD-UHFFFAOYSA-N