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| IUPAC Name: | 4-chloro-3-nitrobenzaldehyde |
| Description: | 4-Chloro-3-nitrobenzaldehyde (CAS# 16588-34-4) is a potent inhibitor of VCAM-1 expression and a potential drug candidate for autoimmune and allergic inflammatory diseases. |
| Molecular Weight: | 185.56 |
| Molecular Formula: | C7H4ClNO3 |
| Canonical SMILES: | C1=CC(=C(C=C1C=O)[N+](=O)[O-])Cl |
| InChI: | InChI=1S/C7H4ClNO3/c8-6-2-1-5(4-10)3-7(6)9(11)12/h1-4H |
| InChI Key: | HETBKLHJEWXWBM-UHFFFAOYSA-N |
| Boiling Point: | 299.8 ℃ at 760 mmHg |
| Melting Point: | 61-63 ℃ |
| Purity: | 97 % |
| Density: | 1.485 g/cm3 |
| Appearance: | Light yellow powder |
| Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
| MDL: | MFCD00007078 |
| LogP: | 2.58390 |
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