| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 11 | Yes |
Popular Name: Methyl 6-methylnicotinate Methyl 6-methylnicotinate
Find On: PubMed — Wikipedia — Google
CAS Numbers: , 101712-97-4 , 5470-70-2 , [101712-97-4] , [5470-70-2]
"Methyl 6-methylnicotinate, 98%"
2-(1-Methylethyl)-1(2H)-Isoquinolinone
2-Isopropyl-1(2H)-isoquinolinone
3-PYRIDINECARBOXYLIC ACID, 6-METHYL-, METHYL ESTER
3-Pyridinecarboxylic acid, 6-methyl-, methyl ester (9CI)
6-Methyl-nicotinic acid methyl ester
6-Methylnicotinic acid methyl ester
Methyl 6-methylnicotinate, 97%
Methyl 6-methylnicotinate, 97+%
| 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) | 0.59 | 4 | -6.27 | 0 | 3 | 0 | 39 | 151.165 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP [°C] | 108 - 110 (p=22.5 torr) | Acros Organics |
| Boiling_Point | 152-154?/40mm | Alfa-Aesar |
| Boiling_Point | 152-154°/40mm | Alfa-Aesar |
| BP | 160 / 106 | TCI |
| Mp [°C] | 31 - 37 | Acros Organics |
| Melting_Point | 31-36? | Alfa-Aesar |
| Melting_Point | 31-36° | Alfa-Aesar |
| MP | 34 | TCI |
| MP | 34 - 37 | Enamine Building Blocks |
| MP | 34-37° | Fluorochem |
| MP | 35 - 37 | Enamine Building Blocks |
| MP | 35...37 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95+% | Matrix Scientific |
| Purity | 97% | Fluorochem |
| Purity | 98% | Fluorochem |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| Warnings | Irritant/Air Sensitive/Stored under Argon | Matrix Scientific |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P280: Wear protective gloves/protective clothing/eye protection/face protection; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P305 + P351 + P338: IF IN EYES: Rinse cautiously with wate | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S22: Do not breathe dust. | Acros Organics |
| S phrase | S22: Do not breathe dust.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
