| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 14 | Yes |
Popular Name: Ethyl phenylcyanoacetate Ethyl phenylcyanoacetate
Find On: PubMed — Wikipedia — Google
CAS Numbers: 4553-07-5 , 7/5/4553 12:00:00 AM , [4553-07-5]
| 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) | 1.76 | 7.03 | -8.36 | 0 | 3 | 0 | 50 | 189.214 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Boiling_Point | 274-275? | Alfa-Aesar |
| Boiling_Point | 274-275° | Alfa-Aesar |
| BP [°C] | 275 | Acros Organics |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | Fluorochem |
| H phrase | H332: Harmful if inhaled | Acros Organics |
| H phrase | H332: Harmful if inhaled; H312: Harmful in contact with skin | 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; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P304 + P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing | Acros Organics |
| R phrase | R20/21: Harmful by inhalation and in contact with skin. | Acros Organics |
| S phrase | S23: Do not breathe gas/fumes/vapour/spray. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
