| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 13 | No |
Popular Name: 2-Methoxy-4-nitrobenzonitrile 2-Methoxy-4-nitrobenzonitrile
Find On: PubMed — Wikipedia — Google
CAS Numbers: 101084-96-2 , [101084-96-2]
| 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) | 1.64 | 4.88 | -8.11 | 0 | 5 | 0 | 79 | 178.147 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 174 - 176 | Enamine Building Blocks |
| MP | 174...176 | Enamine Building Blocks |
| MP | 177 - 180 | Enamine Building Blocks |
| Melting_Point | 177-180? | Alfa-Aesar |
| Melting_Point | 177-180° | Alfa-Aesar |
| Mp [°C] | 180 - 181 | Acros Organics |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| H phrase | H302: Harmful if swallowed; H312: Harmful in contact with skin; H332: Harmful if inhaled | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove | Acros Organics |
| R phrase | R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
