3-Methylphenyl isothiocyanate
Catalog No: FT-0615939
CAS No: 621-30-7
- Molecular Formula: 149.21
- Formula Weight: C8H7NS
- Inchl Key: BDPQUWSFKCFOST-UHFFFAOYSA-N
- Inchl: InChI=1S/C8H7NS/c1-7-3-2-4-8(5-7)9-6-10/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: | GHS07 |
|---|---|
| CAS: | 621-30-7 |
| Flash_Point: | 222 °F |
| Product_Name: | 3-Methylphenyl isothiocyanate |
| Bolling_Point: | 243 °C(lit.) |
| FW: | 149.21300 |
| Melting_Point: | N/A |
| MF: | C8H7NS |
| Density: | 1.103 g/mL at 25 °C(lit.) |
| Refractive_Index: | n20/D 1.6328(lit.) |
|---|---|
| Flash_Point: | 222 °F |
| LogP: | 2.72930 |
| Bolling_Point: | 243 °C(lit.) |
| Water_Solubility: | MAY DECOMPOSE |
| FW: | 149.21300 |
| PSA: | 44.45000 |
| Computational_Chemistry: | ['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 444 ', '7. Heavy Atom Count :10 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :149 ', '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: | C8H7NS |
| Exact_Mass: | 149.03000 |
| Molecular_Structure: | ['1 . Molar refractive index 4705 ', '2 . Molar volume 1451 ', '3 . Parachor （902K）3494 ', '4 . Surface tension 336 ', '5 . Polarizability 1865'] |
| Density: | 1.103 g/mL at 25 °C(lit.) |
| More_Info: | ['1 . Appearance Colourless Liquid 。 ', '2 . Density（g/mL,25/4℃）1103 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）243 ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive index 16328 ', '8 . Flash point（ºC）106 ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,25ºC）Unknow ', '12 . Saturated vapor pressure（kPa,60ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（KPa）Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility 可Soluble in Water 。'] |
| Symbol: | GHS07 |
|---|---|
| RIDADR: | 2206 |
| HS_Code: | 2930909090 |
| Packing_Group: | III |
| Hazard_Class: | 6.1 |
| Risk_Statements(EU): | R23/24/25;R36/37/38;R42/43 |
| 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: | T:Toxic; |
| Warning_Statement: | P261-P280-P305 + P351 + P338 |
| Safety_Statements: | H302 + H312 + H332-H315-H319-H335 |
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