| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 13 | No |
Popular Name: 1-Naphthyl isocyanate 1-Naphthyl isocyanate
Find On: PubMed — Wikipedia — Google
CAS Numbers: 30135-65-0 , 57235-17-3 , 86-84-0 , [30135-65-0] , [86-84-0]
| 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) | 2.93 | 1.38 | -3.78 | 0 | 2 | 0 | 29 | 169.183 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 269 | TCI |
| BP [°C] | 269 - 270 | Acros Organics |
| Boiling_Point | 269? | Alfa-Aesar |
| Boiling_Point | 269° | Alfa-Aesar |
| Mp [°C] | 4 | Acros Organics |
| Melting_Point | 4? | Alfa-Aesar |
| Melting_Point | 4° | Alfa-Aesar |
| Purity | 97% | Fluorochem |
| H phrase | H334: May cause allergy or asthma symptoms or breathing difficulties if inhaled | Acros Organics |
| H phrase | H334: May cause allergy or asthma symptoms or breathing difficulties if inhaled; H312: Harmful in contact with skin; H315: Causes skin irritation; H335: May cause respiratory irritation; H319: Causes serious eye irritation; H302: Harmful if swallowed; H33 | 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; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P304 + P341: IF INHALED: If breathing is difficult, remove to fresh air and keep at rest in a position comfortable for | 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.; R42: May cause sensitisation by inhalation. | Acros Organics |
| S phrase | S23: Do not breathe gas/fumes/vapour/spray. | Acros Organics |
| S phrase | S23: Do not breathe gas/fumes/vapour/spray.; 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.; S45: In case of accident or if | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.