| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 5th, 2004 | 9 | Yes |
Popular Name: Indoline Indoline
Find On: PubMed — Wikipedia — Google
CAS Numbers: 111458-28-7 , 30922-25-9 , 343271-17-0 , 496-15-1 , [496-15-1]
1H-Indole, 2,3-dihydro-, labeled with tritium
1H-Indole-5,7-d2, 2,3-dihydro-
CHEBI:471711; CHEBI:43292; CHEBI:33071
| 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) | 1.79 | 3.68 | -3.15 | 1 | 1 | 0 | 12 | 119.167 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 21 | Acros Organics |
| Melting_Point | 21? | Alfa-Aesar |
| Melting_Point | 21° | Alfa-Aesar |
| BP [°C] | 220 - 221 | Acros Organics |
| Boiling_Point | 220-221? | Alfa-Aesar |
| Boiling_Point | 220-221° | Alfa-Aesar |
| BP | 231 | TCI |
| Purity | 95% | Fluorochem |
| Purity | 97% | Fluorochem |
| Patent Database Links | EP0889037; EP0889044; EP0915094; EP0937714; EP0953355; EP1057830; EP1106605; EP1110966; EP1136483; EP1136489; EP1142885; EP1193254; EP1285651; EP1369420; EP1420018; EP1447402; EP1541553; EP1541554; EP1553091; EP1555267; EP1571154; EP1574215; EP1612208; EP | ChEBI |
| 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 |
| 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 |
