4-Methylphenyl Isothiocyanate
Product Description
| Product | 4-Methylphenyl Isothiocyanate |
| CAS | 622-59-3 |
| Formula | C8H7NS |
| Synonym | 4-Tolyl isothiocyanate, 4-12-00-01938 (Beilstein Handbook Reference), p-Tolyl isothiocyanate, 4-Methylphenyl isothiocyanate, p-Methylphenyl isothiocyanate, EINECS 210-745-5, 1-Isothiocyanato-4-methylbenzene, 4-Tolylisothiocyanate, Isothiocyanic acid, p-tolyl ester, Isothiocyanic acid, 4-tolyl ester, BRN 0386032 |
Typical Product Specifications
| Molecular weight | 149.21 |
| SMILES | c1(ccc(C)cc1)N=C=S |
| InChI | 1S/C8H7NS/c1-7-2-4-8(5-3-7)9-6-10/h2-5H,1H3 |
| Henry's Law Constant | 8.62E-04 atm-m3/mole |
| log P (octanol-water) | 3.92 |
| Boiling Point | 237 ° C |
| Atmospheric OH Rate Constant | 5.72E-12 cm3/molecule-sec |
| Vapor Pressure | 0.030 mm Hg |
| Water solubility | 2.84 mg/L |
| Melting Point | 25-26 ° C |
| Class | Specialty Chemicals |
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