BUTYL ISOTHIOCYANATE
Catalog No: FT-0607991
CAS No: 592-82-5
- Chemical Name: BUTYL ISOTHIOCYANATE
- Molecular Formula: C5H9NS
- Molecular Weight: 115.2
- InChI Key: LIMQQADUEULBSO-UHFFFAOYSA-N
- InChI: InChI=1S/C5H9NS/c1-2-3-4-6-5-7/h2-4H2,1H3
| Assay | Pack Size | Price | Stock | Action |
|---|---|---|---|---|
| 98% | 1g | N/A | N/A | |
| 98% | 5g | N/A | N/A | |
| 98% | Bulk Quantity | N/A | N/A |
| Symbol: | GHS05, GHS07, GHS08 |
|---|---|
| CAS: | 592-82-5 |
| Flash_Point: | 66.1±0.0 °C |
| Product_Name: | 1-Isothiocyanatobutane |
| Bolling_Point: | 168.0±0.0 °C at 760 mmHg |
| FW: | 115.197 |
| Melting_Point: | N/A |
| MF: | C5H9NS |
| Density: | 0.9±0.1 g/cm3 |
| Refractive_Index: | 1.484 |
|---|---|
| Vapor_Pressure: | 2.2±0.3 mmHg at 25°C |
| Flash_Point: | 66.1±0.0 °C |
| LogP: | 2.53 |
| Bolling_Point: | 168.0±0.0 °C at 760 mmHg |
| FW: | 115.197 |
| PSA: | 44.45000 |
| Computational_Chemistry: | ['四计算化学数据 ', '1 . XlogP 29 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 1 ', '4 . Rotatable Bond Count 3 ', '5 . TPSA 124 ', '6 . Heavy Atom Count 7 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 741 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 0 ', '11 . Undefined Atom Stereocenter Count 0 ', '12 . Defined Bond Stereocenter Count 0 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 1'] |
| MF: | C5H9NS |
| Exact_Mass: | 115.045570 |
| Molecular_Structure: | ['1 . Molar refractive index 3577 ', '2 . Molar volume 1250 ', '3 . Parachor （902K）2884 ', '4 . Surface tension 282 ', '5 . Polarizability 1481'] |
| Density: | 0.9±0.1 g/cm3 |
| More_Info: | ['1 . Appearance Liquid 。有吸湿性。 ', '2 . Density（g/mL,25/4℃） 09546 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC） Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）168 ', '6 . Boiling point（ºC,160kPa）64-66 ', '7 . Refractive index1501 ', '8 . Flash point（ºC）66 ', '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 Soluble in Ethanol Ethyl ether ，Insoluble in Water 。'] |
| Symbol: | GHS05, GHS07, GHS08 |
|---|---|
| RIDADR: | UN 1693 6.1/PG 2 |
| Packing_Group: | III |
| Hazard_Class: | 8 |
| Risk_Statements(EU): | 20/21/22-34-42 |
| WGK_Germany: | 3 |
| Personal_Protective_Equipment: | Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| RTECS: | NX8420500 |
| Hazard_Codes: | C |
| Warning_Statement: | P261-P280-P305 + P351 + P338-P310 |
| Safety_Statements: | H302 + H312 + H332-H314-H317-H334 |
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