| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 11 | No |
Popular Name: 3,5-Dichlorophenyl isocyanate 3,5-Dichlorophenyl isocyanate
Find On: PubMed — Wikipedia — Google
CAS Numbers: 34893-92-0 , [34893-92-0]
1,3-dichloro-5-isocyanatobenzene
3,5-Dichlorophenyl isocyanate, 96%
3,5-Dichlorophenyl isocyanate, 97%
| 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) | 3.05 | 0.74 | -1.33 | 0 | 2 | 0 | 29 | 188.013 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Boiling_Point | 242-244? | Alfa-Aesar |
| Boiling_Point | 242-244° | Alfa-Aesar |
| BP [°C] | 243 | Acros Organics |
| MP | 28 | TCI |
| Melting_Point | 28-32? | Alfa-Aesar |
| Melting_Point | 28-32° | Alfa-Aesar |
| Mp [°C] | 29 - 35 | Acros Organics |
| MP | 32 - 34 | Enamine Building Blocks |
| MP | 32...34 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| H phrase | H335: May cause respiratory irritation | Acros Organics |
| H phrase | H335: May cause respiratory irritation; H331: Toxic if inhaled; H311: Toxic in contact with skin; H315: Causes skin irritation; H319: Causes serious eye irritation | Acros Organics |
| P phrase | P310: Immediately call a POISON CENTER or doctor/physician | Acros Organics |
| P phrase | P310: Immediately call a POISON CENTER or doctor/physician; 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 breathing; P342 + P31 | Acros Organics |
| R phrase | R23/24: Toxic by inhalation and in contact with skin.; R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| R phrase | R26: Very toxic by inhalation. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | Acros Organics |
| Hazard | T+: Very toxic | Acros Organics |
| Hazard | T: Toxic | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.