| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 8th, 2004 | 10 | No |
Popular Name: Benzyl isocyanate Benzyl isocyanate
Find On: PubMed — Wikipedia — Google
CAS Numbers: 3173-56-6 , [3173-56-6]
| 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) | 1.47 | 2.25 | -3.67 | 0 | 2 | 0 | 29 | 133.15 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP [°C] | 101 - 104 (p=33 torr) | Acros Organics |
| BP | 101-104°/33mm | Matrix Scientific |
| BP | 118 / 200 | TCI |
| Boiling_Point | 53-54?/0.8mm | Alfa-Aesar |
| Boiling_Point | 53-54°/0.8mm | Alfa-Aesar |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 98% | Matrix Scientific |
| PUBCHEM_PATENT_ID | EP0398749A2 | IBM Patent Data |
| PUBCHEM_PATENT_ID | EP0398749A2; EP0398749B1 | IBM Patent Data |
| Warnings | Flammable/Toxic | Matrix Scientific |
| Warnings | Flammable/Toxic/Moisture Sensitive/Refrigerate/Lachrymator | Matrix Scientific |
| H phrase | H331: Toxic if inhaled | Acros Organics |
| H phrase | H331: Toxic if inhaled; H335: May cause respiratory irritation; H319: Causes serious eye irritation; H311: Toxic in contact with skin; H301: Toxic if swallowed; H315: Causes skin irritation; H226: Flammable liquid and vapor | Acros Organics |
| P phrase | P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician | Acros Organics |
| P phrase | P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; P280: Wear protective gloves/protective clothing/eye protection/face protection; P312: Call a POISON CENTER or doctor/physician if you feel unwell; P302 + P350: IF ON SKIN: G | Acros Organics |
| R phrase | R10: Flammable. | Acros Organics |
| R phrase | R10: Flammable.; R23/24/25: Toxic by inhalation, in contact with skin and if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S16: Keep away from sources of ignition - No smoking. | Acros Organics |
| S phrase | S16: Keep away from sources of ignition - No smoking.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. | Acros Organics |
| Hazard | T: Toxic | Acros Organics |
| Warnings | TOXIC, FLAMMABLE | Matrix Scientific |
| PUBCHEM_PATENT_ID | US5772790 | IBM Patent Data |
