| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 15th, 2004 | 7 | No |
Popular Name: CHLOROACETYL ISOCYANATE CHLOROACETYL ISOCYANATE
Find On: PubMed — Wikipedia — Google
CAS Number: 4461-30-7
| 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) | 0.00 | -1.14 | -5.87 | 0 | 3 | 0 | 47 | 119.507 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP [°C] | 50 - 55 (p=20 torr) | Acros Organics |
| Hazard | C: Corrosive | Acros Organics |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| H phrase | H302: Harmful if swallowed; H312: Harmful in contact with skin; H332: Harmful if inhaled; H314: Causes severe skin burns and eye damage; EUH014: Reacts violently with water | 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; P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, | Acros Organics |
| R phrase | R14: Reacts violently with water. | Acros Organics |
| R phrase | R14: Reacts violently with water.; R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.; R34: Causes burns. | Acros Organics |
| S phrase | S8: Keep container dry. | Acros Organics |
| S phrase | S8: Keep container dry.; 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 you feel unwell, see | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.