4-METHOXYBENZYL ISOTHIOCYANATE
Catalog No: FT-0605831
CAS No: 3694-57-3
- Molecular Formula: 179.24
- Formula Weight: C9H9NOS
- Inchl Key: IMFQYAJJXFXVMM-UHFFFAOYSA-N
- Inchl: InChI=1S/C9H9NOS/c1-11-9-4-2-8(3-5-9)6-10-7-12/h2-5H,6H2,1H3
| Assay | Pack | Price | Stock | Action |
|---|---|---|---|---|
| 98% | 1g | N/A | N/A | |
| 98% | 5g | N/A | N/A | |
| 98% | Bulk Quantity | N/A | N/A |
| Melting_Point: | N/A |
|---|---|
| CAS: | 3694-57-3 |
| MF: | C9H9NOS |
| Flash_Point: | 132-133°C/0.7mm |
| Product_Name: | 4-methoxybenzyl isothiocyanate |
| Density: | 1.0872 |
| FW: | 179.23900 |
| Bolling_Point: | 170-175 °C (16 mmHg) |
| Refractive_Index: | 1.591-1.598 |
|---|---|
| Flash_Point: | 132-133°C/0.7mm |
| LogP: | 2.29800 |
| Bolling_Point: | 170-175 °C (16 mmHg) |
| FW: | 179.23900 |
| PSA: | 53.68000 |
| Computational_Chemistry: | ['1 . XlogP 33 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 2 ', '4 . Rotatable Bond Count 3 ', '5 . Isotope Atom Count 未确定 ', '6 . TPSA 216 ', '7 . Heavy Atom Count 12 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 169 ', '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: | C9H9NOS |
| Exact_Mass: | 179.04000 |
| Density: | 1.0872 |
| Hazard_Class: | 6.1 |
|---|---|
| Risk_Statements(EU): | R36/37/38:Irritating to eyes, respiratory system and skin . R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . |
| RIDADR: | 2810 |
| Hazard_Codes: | Xn |
| HS_Code: | 2930909090 |
| Safety_Statements: | S36/37/39-S26 |
| Packing_Group: | III |
