3-METHOXYPHENYL ISOTHIOCYANATE
Catalog No: FT-0613789
CAS No: 3125-64-2
- Molecular Formula: 165.21
- Formula Weight: C8H7NOS
- Inchl Key: WHBYCPUKGYEYFU-UHFFFAOYSA-N
- Inchl: InChI=1S/C8H7NOS/c1-10-8-4-2-3-7(5-8)9-6-11/h2-5H,1H3
| Assay | Pack | Price | Stock | Action |
|---|---|---|---|---|
| 98% | 1g | N/A | N/A | |
| 98% | 5g | N/A | N/A | |
| 98% | Bulk Quantity | N/A | N/A |
| Symbol: | GHS06 |
|---|---|
| CAS: | 3125-64-2 |
| Flash_Point: | >230 °F |
| Product_Name: | 1-isothiocyanato-3-methoxybenzene |
| Bolling_Point: | 129 °C11 mm Hg(lit.) |
| FW: | 165.21200 |
| Melting_Point: | N/A |
| MF: | C8H7NOS |
| Density: | 1.179 g/mL at 25 °C(lit.) |
| Refractive_Index: | n20/D 1.64(lit.) |
|---|---|
| Flash_Point: | >230 °F |
| LogP: | 2.42950 |
| Bolling_Point: | 129 °C11 mm Hg(lit.) |
| FW: | 165.21200 |
| PSA: | 53.68000 |
| Computational_Chemistry: | ['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 537 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :166 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1'] |
| MF: | C8H7NOS |
| Exact_Mass: | 165.02500 |
| Molecular_Structure: | ['1 . Molar refractive index 4844 ', '2 . Molar volume （m3/mol）1517 ', '3 . Parachor （902K）3686 ', '4 . Surface tension 348 ', '5 . Polarizability 1920'] |
| Density: | 1.179 g/mL at 25 °C(lit.) |
| More_Info: | ['1 . Appearance 无可用 ', '2 . Density（g/mL,25/4℃）1179 ', '3 . Relative vapor density（g/mL,Atmosphere =1）无可用 ', '4 . Melting point（ºC）无可用 ', '5 . Boiling point（ºC,Atmospheric pressure）129 ', '6 . Boiling point（ºC,52kPa）无可用 ', '7 . Refractive index164 ', '8 . Flash point（ºC）无可用 ', '9 . Specific rotation（º）无可用 ', '10 . Spontaneous ignition point or ignition temperature（ºC）无可用 ', '11 . Vapor pressure（kPa,25ºC）无可用 ', '12 . Saturated vapor pressure（kPa,60ºC）无可用 ', '13 . Combustion heat（KJ/mol）无可用 ', '14 . Critical temperature（ºC）无可用 ', '15 . Critical pressure（KPa）无可用 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 无可用 ', '17 . Upper limit of explosion（%,V/V）无可用 ', '18 . Lower limit of explosion（%,V/V）无可用 ', '19 . Solubility 无可用'] |
| Symbol: | GHS06 |
|---|---|
| RIDADR: | UN 2206 6.1/PG 3 |
| HS_Code: | 2930909090 |
| Packing_Group: | III |
| Hazard_Class: | 8 |
| Risk_Statements(EU): | R20/21/22;R34 |
| WGK_Germany: | 3 |
| Personal_Protective_Equipment: | Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard_Codes: | Xn: Harmful;C: Corrosive; |
| Warning_Statement: | P280-P301 + P310 |
| Safety_Statements: | H301-H317 |
