| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 12 | Yes |
Popular Name: 4-Methoxy-3-methylphenylacetonitrile 4-Methoxy-3-methylphenylacetonit…
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CAS Numbers: 75391-57-0 , [75391-57-0]
2-(4-Methoxy-3-methylphenyl)acetonitrile
4-Methoxy-3-(trifluoromethyl)phenylacetonitrile, 97%
4-Methoxy-3-(trifluoromethyl)phenylacetonitrile, JRD
4-Methoxy-3-(trifluoromethyl)phenylacetonitrile, JRD, 97%
4-Methoxy-3-methylphenylacetonitrile; 98%
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.34 | 3.18 | -9.04 | 0 | 2 | 0 | 33 | 161.204 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 127°/2mm | Matrix Scientific |
| Melting_Point | 50-53? | Alfa-Aesar |
| Melting_Point | 50-53° | Alfa-Aesar |
| Purity | 95% | Fluorochem |
| Purity | 98% | Matrix Scientific |
| Warnings | IRRITANT, IRRITANT-HARMFUL | Matrix Scientific |
| Warnings | Irritant/Irritant-Harmful | Matrix Scientific |
