| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 20th, 2004 | 12 | Yes |
Popular Name: 2-Naphthonitrile 2-Naphthonitrile
Find On: PubMed — Wikipedia — Google
CAS Number: 613-46-7
| 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) | 2.88 | 2.7 | -5.44 | 0 | 1 | 0 | 24 | 153.184 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 156 / 12 | TCI |
| Boiling_Point | 156-158?/12mm | Alfa-Aesar |
| Boiling_Point | 156-158°/12mm | Alfa-Aesar |
| Mp [°C] | 63 - 68 | Acros Organics |
| Melting_Point | 63-67? | Alfa-Aesar |
| Melting_Point | 63-67° | Alfa-Aesar |
| MP | 67 | TCI |
| H phrase | H312: Harmful in contact with skin | Acros Organics |
| H phrase | H312: Harmful in contact with skin; H301: Toxic if swallowed; H332: Harmful if inhaled; H315: Causes skin irritation; H318: Causes serious eye damage; H335: May cause respiratory irritation | Acros Organics |
| 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; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P304 + P340: IF INHALED: R | 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.; R41: Risk of serious damage to eyes.; R37/38: Irritating to respiratory system and skin. | Acros Organics |
| S phrase | S36/37: Wear suitable protective clothing and gloves. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
