| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 29th, 2014 | 0 | Yes |
Popular Name: Allyl isothiocyanate Allyl isothiocyanate
Allyl isothiocyanate(stabilised with BHT)
Allyl isothiocyanate, 94%, stab.
Allyl isothiocyanate, 94%, stabilized with 0.01% alpha-tocopherol
| 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 |
|---|
| Note Type | Comments | Provided By |
|---|---|---|
| Molecular_Solubility | 1.969 | Bitter DB |
| Mp [°C] | 80 | Acros Organics |
| Melting_Point | 80? | Alfa-Aesar |
| Melting_Point | 80° | Alfa-Aesar |
| Boiling_Point | 149-151? | Alfa-Aesar |
| Boiling_Point | 149-151° | Alfa-Aesar |
| BP [°C] | 151 - 153 | Acros Organics |
| Purity | 98% | Fluorochem |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H317: May cause an allergic skin reaction; H319: Causes serious eye irritation; H410: Very toxic to aquatic life with long lasting effects; H311: Toxic in contact with skin; H335: May cause respiratory irritation; H301: Toxic | 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.; R43: May cause sensitisation by skin contact.; R50/53: Very toxic to aquatic organisms, may cause long-te | 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.; S24: Avoid contact with skin.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S28B: After contact with skin, wash immediately with plenty of water | Acros Organics |
| Hazard | T: Toxic | Acros Organics |
| Hazard | T: Toxic; N: Dangerous for the environment | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.