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| IUPAC Name: | 1-chloro-2-isocyanatoethane |
| Description: | 2-Chloroethyl isocyanate (CAS# 1943-83-5) is used as a reagent and building block in chemical synthesis. In particular, it is used in the preparation of functionalized aminobenzoboroxoles which are potential anti-cancer agents and also the synthesis of 3-(2-chloroethyl)-5-methyl-6-phenyl-8-(trifluoromethyl)-5,6-dihydropyrazolo[3,4-f][1,2,3,5]tetrazepin-4-(3H)-one which also exhibit antiproliferative activity. |
| Molecular Weight: | 105.52 |
| Molecular Formula: | C3H4ClNO |
| Canonical SMILES: | C(CCl)N=C=O |
| InChI: | InChI=1S/C3H4ClNO/c4-1-2-5-3-6/h1-2H2 |
| InChI Key: | BCMYXYHEMGPZJN-UHFFFAOYSA-N |
| Boiling Point: | 135 ℃ |
| Density: | 1.237 g/cm3 |
| MDL: | MFCD00002043 |
| LogP: | 0.56100 |
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