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| IUPAC Name: | 2-chloro-4-methyl-1-nitrobenzene |
| Description: | 3-Chloro-4-nitrotoluene (CAS# 38939-88-7) is used in the synthesis of quinoxaline derivatives in the development of a positron emission tomography radiotracer for the imaging of N-Methyl-D-aspartate receptor (NMDAR). |
| Molecular Weight: | 171.58 |
| Molecular Formula: | C7H6ClNO2 |
| Canonical SMILES: | CC1=CC(=C(C=C1)[N+](=O)[O-])Cl |
| InChI: | InChI=1S/C7H6ClNO2/c1-5-2-3-7(9(10)11)6(8)4-5/h2-4H,1H3 |
| InChI Key: | KGSQRFPDZCBVBS-UHFFFAOYSA-N |
| Boiling Point: | 108 ℃ (3 torr) |
| Melting Point: | 22-27 ℃ |
| Purity: | 95 % |
| Density: | 1.324 g/cm3 |
| Appearance: | Clear yellow liquid after melting |
| Storage: | Store in a cool, dry place. Store in a tightly closed container. |
| MDL: | MFCD02683043 |
| LogP: | 3.07980 |
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1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
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