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| IUPAC Name: | 1-chloro-5-fluoro-2-methyl-4-nitrobenzene |
| Description: | 2-Chloro-4-fluoro-5-nitrotoluene (CAS# 112108-73-3) is used as a reagent in the synthesis of potent and selective anaplastic lymphoma kinase (ALK-5) inhibitors, used as an anti-tumor treatment. Also used in the synthesis of herbicides. |
| Molecular Weight: | 189.57 |
| Molecular Formula: | C7H5ClFNO2 |
| Canonical SMILES: | CC1=CC(=C(C=C1Cl)F)[N+](=O)[O-] |
| InChI: | InChI=1S/C7H5ClFNO2/c1-4-2-7(10(11)12)6(9)3-5(4)8/h2-3H,1H3 |
| InChI Key: | YXVJHZWHPLOEAP-UHFFFAOYSA-N |
| Boiling Point: | 268 °C |
| Density: | 1.417 g/cm3 |
| Storage: | Sealed in dry, Room Temperature |
| LogP: | 3.21890 |
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