| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 10 | Yes |
Popular Name: Methyl isonicotinate Methyl isonicotinate
Find On: PubMed — Wikipedia — Google
CAS Numbers: 2459-09-8 , 2971-79-1 , 29800-89-3 , 9/8/2459 12:00:00 AM , N/A , [2459-09-8]
| 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) | 0.82 | 3.4 | -6.05 | 0 | 3 | 0 | 39 | 137.138 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 16° | Matrix Scientific |
| BP [°C] | 207 - 209 | Acros Organics |
| Boiling_Point | 207-209? | Alfa-Aesar |
| Boiling_Point | 207-209° | Alfa-Aesar |
| BP | 208° | Matrix Scientific |
| BP | 209 | TCI |
| MP | 7 - 9 | Enamine Building Blocks |
| MP | 8 - 9 | Enamine Building Blocks |
| Melting_Point | 8-8.5? | Alfa-Aesar |
| Melting_Point | 8-8.5° | Alfa-Aesar |
| MP | 8...9 | Enamine Building Blocks |
| Mp [°C] | 8.5 | Acros Organics |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95+% | Matrix Scientific |
| Purity | 97% | Fluorochem |
| H phrase | H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
