| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 11 | Yes |
Popular Name: 5-Cyanoindole 5-Cyanoindole
Find On: PubMed — Wikipedia — Google
CAS Numbers: 15861-24-2 , 240812-99-1 , [15861-24-2]
1H-Indole-5-carbonitrile; 5-Cyanoindole; EINECS 239-986-4; Indole-5-carbonitrile; LS-82429
| 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) | 1.89 | 4.92 | -7.18 | 1 | 2 | 0 | 40 | 142.161 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 104-108? | Alfa-Aesar |
| Melting_Point | 104-108° | Alfa-Aesar |
| MP | 106 | TCI |
| Mp [°C] | 106 - 109 | Acros Organics |
| MP | 106-108° | Matrix Scientific |
| MP | 106-109° | Oakwood Chemical |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | Fluorochem |
| Purity | 98% | Matrix Scientific |
| Purity | 99% | APIChem |
| Warnings | AIR SENSITIVE, IRRITANT-HARMFUL, LIGHT SENSITIVE | Matrix Scientific |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| H phrase | H302: Harmful if swallowed; H319: Causes serious eye irritation; H315: Causes skin irritation; H312: Harmful in contact with skin; H332: Harmful if inhaled; H335: May cause respiratory irritation | Acros Organics |
| Warnings | Irritant-Harmful/Store in Freezer/Light Sensitive/Air Sensitive | 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 | R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. | Acros Organics |
| R phrase | R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.; 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 | XN: Harmful | Acros Organics |
