3-NITROPHENYL ISOTHIOCYANATE
Catalog No: FT-0615936
CAS No: 3529-82-6
- Molecular Formula: 180.19
- Formula Weight: C7H4N2O2S
- Inchl Key: OEZXLKSZOAWNJU-UHFFFAOYSA-N
- Inchl: InChI=1S/C7H4N2O2S/c10-9(11)7-3-1-2-6(4-7)8-5-12/h1-4H
| 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: | GHS05 |
|---|---|
| CAS: | 3529-82-6 |
| Flash_Point: | 146ºC |
| Product_Name: | 1-isothiocyanato-3-nitrobenzene |
| Bolling_Point: | 317.8ºC at 760mmHg |
| FW: | 180.18400 |
| Melting_Point: | 57-60 °C(lit.) |
| MF: | C7H4N2O2S |
| Density: | 1.33g/cm3 |
| Refractive_Index: | 1.631 |
|---|---|
| Flash_Point: | 146ºC |
| LogP: | 2.85230 |
| Bolling_Point: | 317.8ºC at 760mmHg |
| PSA: | 90.27000 |
| Molecular_Structure: | ['1 . Molar refractive index 4829 ', '2 . Molar volume （m3/mol）1354 ', '3 . Parachor （902K）3638 ', '4 . Surface tension 520 ', '5 . Polarizability （10 -24cm 3）1914'] |
| Computational_Chemistry: | ['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 903 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :220 ', '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'] |
| Melting_Point: | 57-60 °C(lit.) |
| MF: | C7H4N2O2S |
| Exact_Mass: | 179.99900 |
| FW: | 180.18400 |
| Density: | 1.33g/cm3 |
| More_Info: | ['1 . Appearance 灰Yellow 刺激性气味晶体 ', '2 . Density（g/mL,25/4℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）56-58 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）Unknow ', '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Water 解的'] |
| Symbol: | GHS05 |
|---|---|
| RIDADR: | UN 3261 8/PG 3 |
| HS_Code: | 2930909090 |
| Packing_Group: | II |
| Hazard_Class: | 6.1 |
| Risk_Statements(EU): | R20/21/22;R36/37/38 |
| WGK_Germany: | 3 |
| Personal_Protective_Equipment: | Eyeshields;Faceshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges |
| RTECS: | NX9110000 |
| Hazard_Codes: | C: Corrosive; |
| Warning_Statement: | P280-P305 + P351 + P338-P310 |
| Safety_Statements: | H314 |
