| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 8th, 2004 | 7 | Yes |
Popular Name: Iodobenzene Iodobenzene
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1273-76-3 , 3240-34-4 , 536-80-1 , 591-50-4 , 626-62-0 , N/A
| 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) | 3.02 | 5.58 | -1.86 | 0 | 0 | 0 | 0 | 204.01 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 29 | Acros Organics |
| MP | 29° | Oakwood Chemical |
| Melting_Point | 31? | Alfa-Aesar |
| Melting_Point | 31° | Alfa-Aesar |
| ALOGPS_SOLUBILITY | 1.45e-01 g/l | DrugBank-experimental |
| BP [°C] | 188 | Acros Organics |
| Boiling_Point | 188-189? | Alfa-Aesar |
| Boiling_Point | 188-189° | Alfa-Aesar |
| BP | 188° | Oakwood Chemical |
| bp | 92 - 94 (p=45 torr)92 - 95 (p=45 torr)94 - 96 (p=45 torr)92 - 93 (p=45 torr) | MolMall (formerly Molecular Diversity Preservation International) |
| bp | 92 - 95 (p=45 torr)92 - 94 (p=45 torr)91 - 95 (p=45 torr) | MolMall (formerly Molecular Diversity Preservation International) |
| bp | 92 - 95 (p=45 torr)92 - 94 (p=45 torr)91 - 95 (p=45 torr)93 - 95 (p=45 torr) | MolMall (formerly Molecular Diversity Preservation International) |
| Purity | 98% | Fluorochem |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| H phrase | H302: Harmful if swallowed; H332: Harmful if inhaled | Acros Organics |
| P phrase | P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell | Acros Organics |
| P phrase | P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P304 + P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing | Acros Organics |
| R phrase | R20/22: Harmful by inhalation and if swallowed. | Acros Organics |
| S phrase | S23: Do not breathe gas/fumes/vapour/spray. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.