3-CHLOROBENZYL ISOTHIOCYANATE
Catalog No: FT-0634969
CAS No: 3694-58-4
- Chemical Name: 3-CHLOROBENZYL ISOTHIOCYANATE
- Molecular Formula: C8H6ClNS
- Molecular Weight: 183.66
- InChI Key: GGNLZOLEJMSOKU-UHFFFAOYSA-N
- InChI: InChI=1S/C8H6ClNS/c9-8-3-1-2-7(4-8)5-10-6-11/h1-4H,5H2
| 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 |
| Melting_Point: | N/A |
|---|---|
| CAS: | 3694-58-4 |
| MF: | C8H6ClNS |
| Flash_Point: | 122.4ºC |
| Product_Name: | 3-Chlorobenzyl isothiocyanate |
| Density: | 1.18g/cm3 |
| FW: | 183.65800 |
| Bolling_Point: | 140 °C |
| Refractive_Index: | 1.581 |
|---|---|
| Flash_Point: | 122.4ºC |
| LogP: | 2.94280 |
| Bolling_Point: | 140 °C |
| FW: | 183.65800 |
| PSA: | 44.45000 |
| Computational_Chemistry: | ['1 . XlogP 42 ', '2 . Hydrogen Bond Donor Count 0 ', '3 . Hydrogen Bond Acceptor Count 1 ', '4 . Rotatable Bond Count 2 ', '5 . Isotope Atom Count 未确定 ', '6 . TPSA 124 ', '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: | C8H6ClNS |
| Exact_Mass: | 182.99100 |
| Density: | 1.18g/cm3 |
| RIDADR: | 2810 |
|---|---|
| Hazard_Codes: | T |
| HS_Code: | 2930909090 |
| Risk_Statements(EU): | R20/21/22 |
| Safety_Statements: | S26-S36/37/39-S45 |
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