| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 12 | No |
Popular Name: 6-Nitroindoline 6-Nitroindoline
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1187929-53-8 , 19727-83-4 , [19727-83-4]
1H-Indole, 2,3-dihydro-6-nitro-
2,3-Dihydro-6-nitro-(1H)-indole
| 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) | 1.72 | 4.35 | -7.31 | 1 | 4 | 0 | 58 | 164.164 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 63 - 65 | Enamine Building Blocks |
| MP | 63...65 | Enamine Building Blocks |
| MP | 65-67° | Matrix Scientific |
| Mp [°C] | 66 - 70 | Acros Organics |
| Melting_Point | 66-70? | Alfa-Aesar |
| Melting_Point | 66-70° | Alfa-Aesar |
| MP | 67 | TCI |
| MP | 67 - 69 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | Matrix Scientific |
| Purity | 98% | 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 |
