| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 13 | Yes |
Popular Name: (3,4-Dimethoxyphenyl)acetonitrile (3,4-Dimethoxyphenyl)acetonitrile
(3,4-Dimethoxyphenyl)acetonitrile, 99+%
2-(3,4-dimethoxyphenyl)acetonitrile
3,4-di methoxy phenyl acetonitrile
3,4-dimethoxybenzeneacetonitrile
3,4-Dimethoxyphenylacetonitrile
3,4-Dimethoxyphenylacetonitrile, 98%
3,4-DIMETHOXYPHENYLACETONITRILE; [93-17-4]
3,4-Dimethyloxy Phenylacetonotrile
benzeneacetonitrile, 3,4-dimethoxy-
| 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) | 1.55 | 4.86 | -11.95 | 0 | 3 | 0 | 42 | 177.203 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| SOLUBILITY | .; .; methanol: 0.1 g/mL, clear | Indofine |
| BP | 160 / 4 | TCI |
| BP [°C] | 171 - 178 (p=10 torr) | Acros Organics |
| BP | 171-178°/10mm | Oakwood Chemical |
| Boiling_Point | 177-178?/10mm | Alfa-Aesar |
| Boiling_Point | 177-178°/10mm | Alfa-Aesar |
| M.P | 54-57 °C | Indofine |
| MP | 62 - 64 | Enamine Building Blocks |
| Mp [°C] | 62 - 65 | Acros Organics |
| MP | 62-63.5° | Oakwood Chemical |
| Melting_Point | 62-65? | Alfa-Aesar |
| Melting_Point | 62-65° | Alfa-Aesar |
| MP | 62...64 | Enamine Building Blocks |
| MP | 65 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 98% | Fluorochem |
| H phrase | H331: Toxic if inhaled | Acros Organics |
| H phrase | H331: Toxic if inhaled; H301: Toxic if swallowed; H311: Toxic in contact with skin | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| P phrase | P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician | Acros Organics |
| P phrase | P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; P280: Wear protective gloves/protective clothing/eye protection/face protection; P312: Call a POISON CENTER or doctor/physician if you feel unwell; P302 + P350: IF ON SKIN: G | Acros Organics |
| R phrase | R23/24/25: Toxic by inhalation, in contact with skin and if swallowed. | Acros Organics |
| S phrase | S22: Do not breathe dust. | Acros Organics |
| S phrase | S22: Do not breathe dust.; S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). | Acros Organics |
| Hazard | T: Toxic | Acros Organics |
| APPEARANCE | yellow | Indofine |
