| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 7 | No |
Popular Name: 3-Chloropropyl isocyanate 3-Chloropropyl isocyanate
Find On: PubMed — Wikipedia — Google
CAS Numbers: 13010-19-0 , [13010-19-0]
| 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) | 0.95 | 0.64 | -4.31 | 0 | 2 | 0 | 29 | 119.551 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP [°C] | 152 - 154 | Acros Organics |
| BP | 152 - 154° | Fluorochem |
| Boiling_Point | 152-154? | Alfa-Aesar |
| Boiling_Point | 152-154° | Alfa-Aesar |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| H phrase | H301: Toxic if swallowed | Acros Organics |
| H phrase | H301: Toxic if swallowed; H334: May cause allergy or asthma symptoms or breathing difficulties if inhaled; H318: Causes serious eye damage; H314: Causes severe skin burns and eye damage; H331: Toxic if inhaled; H311: Toxic in contact with skin | 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 | R23/24/25: Toxic by inhalation, in contact with skin and if swallowed. | Acros Organics |
| R phrase | R23/24/25: Toxic by inhalation, in contact with skin and if swallowed.; R34: Causes burns.; 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.; S28A: After contact with skin, wash immediately with plenty of water.; S36/37/39: Wear suitable protective clo | Acros Organics |
| Hazard | T: Toxic | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.