| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 13 | Yes |
Popular Name: Methyl indole-3-carboxylate Methyl indole-3-carboxylate
Find On: PubMed — Wikipedia — Google
CAS Numbers: 39891-71-9 , 942-24-5 , [942-24-5]
3-carbomethoxyindole; 3-methoxycarbonylindole; indole-3-carboxylic acid methyl ester
942-24-5; CPDQT-423; methyl indole-3-carboxylate
Indole-3-carboxylic acid methyl ester
methyl 1H-indole-3-carboxylate
| 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) | 1.92 | 5.17 | -11.56 | 1 | 3 | 0 | 42 | 175.187 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 149 | TCI |
| melting_point | 149 - 151 | KeyOrganics |
| Melting_Point | 149-152? | Alfa-Aesar |
| Melting_Point | 149-152° | Alfa-Aesar |
| Purity | 99% | Matrix Scientific |
| H phrase | H335: May cause respiratory irritation | Acros Organics |
| H phrase | H335: May cause respiratory irritation; H315: Causes skin irritation; H319: Causes serious eye irritation | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| Warnings | Irritant/Store in Freezer | 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; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
