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| IUPAC Name: | 1,3-diisothiocyanatobenzene |
| Description: | 1,3-Phenylene diisothiocyanate (CAS# 3125-77-7 ) is a useful research chemical. |
| Molecular Weight: | 192.26 |
| Molecular Formula: | C8H4N2S2 |
| Canonical SMILES: | C1=CC(=CC(=C1)N=C=S)N=C=S |
| InChI: | InChI=1S/C8H4N2S2/c11-5-9-7-2-1-3-8(4-7)10-6-12/h1-4H |
| InChI Key: | BOLANQNHTGVOMY-UHFFFAOYSA-N |
| Boiling Point: | 358.8 °C at 760 mmHg |
| Melting Point: | 56 °C (dec.)(lit.) |
| Purity: | 95 % |
| Density: | 1.2 g/cm3 |
| MDL: | MFCD01716878 |
| LogP: | 3.15520 |
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