3-(Methylthio)aniline
- Product Name3-(Methylthio)aniline
- CAS1783-81-9
- MFC7H9NS
- MW139.22
- EINECS217-232-5
- MOL File1783-81-9.mol
Chemical Properties
| Boiling point | 163-165 °C16 mm Hg(lit.) |
| Density | 1.13 g/mL at 25 °C(lit.) |
| vapor pressure | 1.66Pa at 25℃ |
| refractive index | n |
| Flash point | >230 °F |
| storage temp. | Keep in dark place,Inert atmosphere,Room temperature |
| pka | 3.96±0.10(Predicted) |
| form | clear liquid |
| color | Colorless to Light orange to Yellow |
| Specific Gravity | 1/130 |
| BRN | 2078599 |
| InChI | 1S/C7H9NS/c1-9-7-4-2-3-6(8)5-7/h2-5H,8H2,1H3 |
| InChIKey | KCHLDNLIJVSRPK-UHFFFAOYSA-N |
| SMILES | CSc1cccc(N)c1 |
| LogP | 1.68 |
| CAS DataBase Reference | 1783-81-9(CAS DataBase Reference) |
| NIST Chemistry Reference | 3-CH3SC6H4NH2(1783-81-9) |
| EPA Substance Registry System | m-(Methylthio)aniline (1783-81-9) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-37/39 |
| RIDADR | UN 2810 6.1/PG 3 |
| WGK Germany | 3 |
| RTECS | BY6301000 |
| F | 2-8-13 |
| Hazard Note | Harmful |
| TSCA | TSCA listed |
| HazardClass | IRRITANT, STENCH |
| HazardClass | 6.1 |
| HS Code | 29309090 |
| Storage Class | 10 - Combustible liquids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
| Toxicity | LD50 orl-qal: 750 mg/kg AECTCV 12,355,83 |
