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| IUPAC Name: | 1,3-dichloro-5-isocyanatobenzene |
| Description: | 3,5-Dichlorophenyl isocyanate (CAS# 34893-92-0) is a reagent used in the synthesis of carbamate and aryl ether substituted pyrazinones as corticotropin releasing factor-1 receptor antagonists as well as the synthesis of novel triazolor pyridine derivatives. |
| Molecular Weight: | 188.01 |
| Molecular Formula: | C7H3Cl2NO |
| Canonical SMILES: | C1=C(C=C(C=C1Cl)Cl)N=C=O |
| InChI: | InChI=1S/C7H3Cl2NO/c8-5-1-6(9)3-7(2-5)10-4-11/h1-3H |
| InChI Key: | XEFUJGURFLOFAN-UHFFFAOYSA-N |
| Boiling Point: | 243 °C |
| Melting Point: | 29-35 °C |
| Flash Point: | 113 °C (C.C) |
| Purity: | 95 % |
| Density: | 1.38 g/cm3 |
| Appearance: | White or yellowish solid |
| Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Store protected from moisture. |
| MDL: | MFCD00013859 |
| LogP: | 2.96070 |
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