| Description | 5-Chlorovaleronitrile (AI320151) can be used as a quantitative structure-toxicity model to predict the aquatic toxicity. |
| Synonyms | AI3 20151, 5-氯戊腈, AI3-20151, AI320151 |
| molecular weight | 117.58 |
| Molecular formula | C5H8ClN |
| CAS | 6280-87-1 |
| Storage | Powder: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice. |
| Solubility | DMSO: 55 mg/mL (467.77 mM) |
| References | 1. Polishchuk PG, et al. Application of random forest approach to QSAR prediction of aquatic toxicity. J Chem Inf Model. 2009 Nov;49(11):2481-8. 2. Toropov AA, Schultz TW. Prediction of aquatic toxicity: use of optimization of correlation weights of local graph invariants. J Chem Inf Comput Sci. 2003 Mar-Apr;43(2):560-7. |