Introduction：Basic information about 3-Methylthiophene CAS 616-44-4, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
3-Methylthiophene Basic information
| Product Name: | 3-Methylthiophene |
| Synonyms: | 3-Methylthiophene, 99+%;Thiophene, 3-methyl-;3-Methylthiophene,98%;3-Methyl[b]thiophene;4-Methylthiophene;β-Methylthiophene;3-Methylthiophene, 99+% 50ML;3MT |
| CAS: | 616-44-4 |
| MF: | C5H6S |
| MW: | 98.17 |
| EINECS: | 210-482-6 |
| Product Categories: | Building Blocks;Heterocyclic Building Blocks;3-Alkylthiophenes (for Conduting Polymer Research);Functional Materials;Reagents for Conducting Polymer Research;Thiophen;C4 to C6;Building Blocks;Chemical Synthesis;Heterocyclic Building Blocks;Aromatics;Intermediates & Fine Chemicals;Pharmaceuticals;Sulfur & Selenium Compounds;Heterocycles;Thiophene&Benzothiophene;Heterocyclic Compounds;Thiophens;Thiophenes |
| Mol File: | 616-44-4.mol |
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3-Methylthiophene Chemical Properties
| Melting point | -69 °C (lit.) |
| Boiling point | 114 °C/738 mmHg (lit.) |
| density | 1.016 g/mL at 25 °C (lit.) |
| vapor pressure | 42.4 mm Hg ( 37.7 °C) |
| refractive index | n20/D 1.519(lit.) |
| Fp | 52 °F |
| storage temp. | Flammables area |
| solubility | 0.40g/l |
| form | Liquid |
| color | Clear colorless to light yellow |
| Specific Gravity | 1.016 |
| Water Solubility | insoluble |
| BRN | 1300 |
| Stability: | Volatile |
| InChI | 1S/C5H6S/c1-5-2-3-6-4-5/h2-4H,1H3 |
| InChIKey | QENGPZGAWFQWCZ-UHFFFAOYSA-N |
| SMILES | Cc1ccsc1 |
| LogP | 2.340 |
| CAS DataBase Reference | 616-44-4(CAS DataBase Reference) |
| NIST Chemistry Reference | Thiophene, 3-methyl-(616-44-4) |
| EPA Substance Registry System | Thiophene, 3-methyl- (616-44-4) |
Safety Information
| Hazard Codes | F,Xn,Xi |
| Risk Statements | 11-20/22-36/37/38-37 |
| Safety Statements | 7-16-29-33-36-37/39-26-7/9 |
| RIDADR | UN 1993 3/PG 2 |
| WGK Germany | 3 |
| RTECS | XM9800000 |
| F | 8-10-13-23 |
| Hazard Note | Flammable/Harmful |
| TSCA | TSCA listed |
| HazardClass | 3 |
| PackingGroup | II |
| HS Code | 29349990 |
| Storage Class | 3 - Flammable liquids |
| Hazard Classifications | Flam. Liq. 2 |
3-Methylthiophene Usage And Synthesis
| Chemical Properties | clear colorless to light yellow liquid |
| Uses | A thiophene derivative used as an electropolymerization monomer in conducting polymer research. |
| Uses | Conducting polymer precursor.1 |
| Uses | Thiophene, 2-methyIthiopheney and 3-methylthiophene act as inhibitors for the polymerization of trichloroethylene in a solvent used for the degreasing of iron and aluminum, said polymerization being catalyzed by contact of the solvent with the metals.Bonz, in 1885, reported the formation of a dichloroethylthiophene from chlorination of 2-ethylthiophene in the cold. Is Opolski studied the chlorination of 2- and 3-methylthiophenes, 2-ethyl- and 2-butylthiophene and reported constants for the monochloro derivatives.Voerman has chlorinated 3-methylthiophene in the side chain with phosphorus trichloride in the sunlight, but concurrent ring chlorination predominates.3-Methylthiophene gives a unique reaction with alkyl- or arylsodium in which the substitution takes place exclusively in the 5-position rather than in the expected 2-position. |
| Uses | 3-Methylthiophene is found in coffee and coffee products. it is a maillard product, present in roast coffee aroma.
3-Methylthiophene is a member of thiophenes. Conducting polymer precursor. Copolymerization of 3-alkylthiophene and 3-methylthiophene is a promising approach to provide a polymer which has both solution processible property and high electrical conductivity. |
| Definition | ChEBI: 3-Methylthiophene is a member of thiophenes. |
| Purification Methods | Dry it with Na2SO4, then distil it from sodium. [Beilstein 17 III/IV 277, 17/1 V 331.] |
3-Methylthiophene Preparation Products And Raw materials
| Preparation Products | 3-Thiopheneacetic acid-->4-BROMO-1,1-BIS(3-METHYL-2-THIENYL)-1-BUTENE-->4-Bromo-1,1-bis-(3-methyl-thiophen-2-yl)-butan-1-ol ,97%-->3-METHYLTHIOPHENE-2-BORONIC ACID-->METHYL 2,5-DICHLOROTHIOPHENE-3-CARBOXYLATE-->2-ACETYL-4-METHYLTHIOPHENE-->2,5-DICHLOROTHIOPHENE-3-CARBONYL CHLORIDE-->2,4-DIMETHYLTHIOPHENE-->2,5-DICHLOROTHIOPHENE-3-CARBOXYLIC ACID-->3-METHYLTHIOPHENE-2-CARBONYL CHLORIDE-->2-Acetyl-3-methylthiophene-->4-METHYLTHIOPHENE-2-CARBOXALDEHYDE-->METHOPRENE-->2,5-Dichloro-3-methylthiophene-->3-Hydroxy-4-Methyl-2(5H)-thiophenone-->3-METHYLTHIOPHENE-2-BORONIC ACID PINACOL ESTER-->ETHYL 3-METHYLTHIOPHENE-2-GLYOXYLATE |
