4-Chlorophenyl isothiocyanate
Product Description
| Product | 4-Chlorophenyl isothiocyanate |
| CAS | 2131-55-7 |
| Formula | C7H4ClNS |
| Synonym | p-Chlorophenyl isothiocyanate, Benzene, 1-chloro-4-isothiocyanato-, Isothiocyanic acid, p-chlorophenyl ester, Isothiocyanic acid, 4-chlorophenyl ester, 1-Chloro-4-isothiocyanatobenzene, 4-Chlor-phenyl-isothiocyanat, 4-12-00-01214 (Beilstein Handbook Reference), 4-Chlor-phenyl-isothiocyanat, 4-Chlor-phenyl-isothiocyanat [German], AI3-29697, BRN 0471610, EINECS 218-358-3, Isothiocyanic acid, 4-chlorophenyl ester, NSC 20213, 1-Chloro-4-isothiocyanatobenzene, Benzene, 1-chloro-4-isothiocyanato-, Isothiocyanic acid, p-chlorophenyl ester |
Typical Product Specifications
| Molecular weight | 169.63 |
| SMILES | c1(ccc(Cl)cc1)N=C=S |
| InChI | 1S/C7H4ClNS/c8-6-1-3-7(4-2-6)9-5-10/h1-4H |
| Melting Point | 46 ° C |
| Boiling Point | 249.5 ° C |
| Atmospheric OH Rate Constant | 1.50E-12 cm3/molecule-sec |
| Water solubility | 28.3 mg/L |
| Vapor Pressure | 0.013 mm Hg |
| Henry's Law Constant | 5.79E-04 atm-m3/mole |
| log P (octanol-water) | 3.91 |
| Class | Specialty Chemicals |
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