| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 6th, 2004 | 8 | Yes |
Popular Name: 4-Iodotoluene 4-Iodotoluene
Find On: PubMed — Wikipedia — Google
CAS Numbers: , 624-31-7
| 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) | 3.47 | 0.69 | -1.75 | 0 | 0 | 0 | 0 | 218.037 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Boiling_Point | 210-212? | Alfa-Aesar |
| Boiling_Point | 210-212° | Alfa-Aesar |
| BP [°C] | 211.5 | Acros Organics |
| BP | 211.5° | Matrix Scientific |
| MP | 33 - 35 | Enamine Building Blocks |
| Mp [°C] | 33 - 36 | Acros Organics |
| Melting_Point | 33-35? | Alfa-Aesar |
| Melting_Point | 33-35° | Alfa-Aesar |
| MP | 33...35 | Enamine Building Blocks |
| MP | 34-36° | Matrix Scientific |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 99% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.