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| IUPAC Name: | 2-chlorobenzonitrile |
| Description: | 2-Chlorobenzonitrile is an activated aryl chloride that is commonly used in reactions that involve the Palladium-catalyzed direct arylation of heteroaromatics (e.g. 3-aminopicolinic acid [A627800]). 2-Chlorobenzonitrile and its substituted derivatives (e.g. 2,3-dichloro-6-nitrobenzonitrile [2112-22-3]) also have potential anti-inflammatory properties. |
| Molecular Weight: | 137.57 |
| Molecular Formula: | C7H4ClN |
| Canonical SMILES: | C1=CC=C(C(=C1)C#N)Cl |
| InChI: | InChI=1S/C7H4ClN/c8-7-4-2-1-3-6(7)5-9/h1-4H |
| InChI Key: | NHWQMJMIYICNBP-UHFFFAOYSA-N |
| Melting Point: | >50°C (dec.) |
| Solubility: | Chloroform, Ethyl Acetate (Slightly) |
| Appearance: | White to Off-White Solid |
| Storage: | -20°C |
| References: | Andreu, M., et al. Chem. Commun., 24, 2475 (2000); Hellman, W., et al. J. Med. Chem., 21, 906 (1978); Roy, D., et al. ACS Catal., 2, 1033 (2012). |
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