HuagongsheHuagongshe Chemistry Print Report · For research reference only
2,4-Dimethylthiophene
2,4-Dimethylthiophene · Thiophene, 2,4-dimethyl- · 2,4-Dimethylthiophene in isooctane · 2,4-dimethylthiophene CAS NO.638-00-6 · 2,4-DIMETHYLTHIOPHENE ISO 9001：2015 REACH · 2,4-Dimethylthiophene, 95%, for synthesis
Identifiers & Physical Properties
| CAS No. | 638-00-6 |
|---|---|
| Molecular formula | C6H8S |
| Average molar mass | 112.19 g/mol |
| Monoisotopic mass | 112.03467126 g/mol |
| SMILES | Cc1csc(C)c1 |
| InChIKey | CPULIKNSOUFMPL-UHFFFAOYSA-N |
| PubChem CID | 34296 |
| EC No. | 211-312-3 |
| DTXSID | DTXSID40213238 |
Chemical & Physical Properties
| XLogP | 2.4 |
|---|---|
| Topological polar surface area | 28.2 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 0 |
| Heavy atoms | 7 |
| Formal charge | 0 |
| Complexity | 61.2 |
| SpringerMaterials Properties | Boiling point |
| Boiling point | 139.00 to 141.00 °C. @ 760.00 mm Hg139-141°C |
| Melting point | -66.9°C (estimate) |
| Density | 0,994 g/cm3 |
| Refractive index | 1.5078 |
| Storage conditions | Keep in dark place,Inert atmosphere,Store in freezer, under -20°C |
| Physical state | liquid (estimate) |
| Appearance | Colorless to light yellow Liquid |
| Henry's law constant | 1.5×10-3 mol/(m3Pa) at 25℃, Yaws et al. (2003) |
| InChI | InChI=1S/C6H8S/c1-5-3-6(2)7-4-5/h3-4H,1-2H3 |
| InChIKey | CPULIKNSOUFMPL-UHFFFAOYSA-N |
| SMILES | C1(C)SC=C(C)C=1 |
| LogP (partition coefficient) | 2.595 (est) |
| CAS DataBase Reference | 638-00-6(CAS DataBase Reference) |
| FDA UNII | Q9B2TF3UVC |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302-H315-H319-H332-H335 |
| GHS precautionary statements | P261-P280-P305+P351+P338 |
| Risk statements (R) | 10-36/37/38 |
| Safety statements (S) | 16-36/37/39-26 |
| UN transport number | 1993 |
| Hazard class | IRRITANT |
| Customs code | 29349990 |
Safety & Regulations
| GHS classification | DangerH225 (33.3%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 2 (33.3%) |
| UN transport number | 1993 |
| Customs code | 29349990 |
| Risk statements (R) | 10-36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Safety statements (S) | 16-36/37/39-26 |
| Hazard class | IRRITANT |
| GHS hazard statements | H302-H315-H319-H332-H335 |
| GHS precautionary statements | P261-P280-P305+P351+P338 |
Applications & Uses
Uses
2,4-Dimethylthiophene is a biochemical used for proteomics and food research.