| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2005 | 12 | No |
Popular Name: 2-(4-chlorophenyl)malonaldehyde 2-(4-chlorophenyl)malonaldehyde
Find On: PubMed — Wikipedia — Google
CAS Numbers: 205676-17-1 , 53868-40-9 , [205676-17-1]
| 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) | 1.69 | 5.06 | -32.46 | 0 | 2 | -1 | 40 | 181.598 | 2 | ↓ |
| Ref Reference (pH 7) | 1.69 | 5.08 | -31.77 | 0 | 2 | -1 | 40 | 181.598 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.70 | 4.17 | -9.55 | 0 | 2 | 0 | 34 | 182.606 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 137 - 143 | Acros Organics |
| MP | 140-143° | Matrix Scientific |
| melting_point | 142 - 144 | KeyOrganics |
| Purity | 95% | Fluorochem |
| Hazard | C: Corrosive | Acros Organics |
| H phrase | H314: Causes severe skin burns and eye damage | Acros Organics |
| H phrase | H314: Causes severe skin burns and eye damage; H302: Harmful if swallowed; H318: Causes serious eye damage | Acros Organics |
| Warnings | Irritant | Matrix Scientific |
| P phrase | P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting | Acros Organics |
| P phrase | P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P280: Wear eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue r | Acros Organics |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| R phrase | R22: Harmful if swallowed.; R34: Causes burns. | Acros Organics |
| S phrase | S25: Avoid contact with eyes. | Acros Organics |
| S phrase | S25: Avoid contact with eyes.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). | Acros Organics |
