| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 13 | Yes |
Popular Name: Methyl indole-4-carboxylate Methyl indole-4-carboxylate
Find On: PubMed — Wikipedia — Google
CAS Numbers: 39830-66-5 , N/A , [39830-66-5 , [39830-66-5]
"Methyl indole-4-carboxylate, 98%"
1H-Indole-4-carboxylic acid, methyl ester
4-Indole-carboxylic acid methyl ester
Indole-4-carboxylic acid methyl ester
methyl 1H-indole-4-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) | 1.94 | 5.06 | -10.37 | 1 | 3 | 0 | 42 | 175.187 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 146-147° | Matrix Scientific |
| Mp [°C] | 67 - 71 | Acros Organics |
| Melting_Point | 68-71? | Alfa-Aesar |
| Melting_Point | 68-71° | Alfa-Aesar |
| MP | 69-71° | Matrix Scientific |
| MP | 71 | TCI |
| Purity | 97% | APIChem |
| Purity | 98% | Fluorochem |
| Purity | 99% | Matrix Scientific |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| H phrase | H302: Harmful if swallowed; H315: Causes skin irritation; H312: Harmful in contact with skin; H335: May cause respiratory irritation; H319: Causes serious eye irritation | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| Warnings | Irritant/Store in Freezer | Matrix Scientific |
| 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; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/p | Acros Organics |
| R phrase | R21/22: Harmful in contact with skin and if swallowed. | Acros Organics |
| R phrase | R21/22: Harmful in contact with skin and if swallowed.; 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.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.