| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 20th, 2004 | 10 | No |
Popular Name: 1-Iodo-4-nitrobenzene 1-Iodo-4-nitrobenzene
Find On: PubMed — Wikipedia — Google
CAS Numbers: , 636-98-6
| 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) | 2.98 | 0.89 | -4.32 | 0 | 3 | 0 | 46 | 249.007 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 171 - 173 | Acros Organics |
| M.P | 171-173 °C | Indofine |
| MP | 171-173° | Matrix Scientific |
| Melting_Point | 172-177? | Alfa-Aesar |
| Melting_Point | 172-177° | Alfa-Aesar |
| MP | 173 | TCI |
| MP | 175 - 177 | Enamine Building Blocks |
| MP | 175...177 | Enamine Building Blocks |
| Boiling_Point | 288-290? | Alfa-Aesar |
| Boiling_Point | 288-290° | Alfa-Aesar |
| BP [°C] | 289 (p=772 torr) | Acros Organics |
| BP | 289°/772 | Matrix Scientific |
| BP | 289°/772mm | Oakwood Chemical |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 98% | Matrix Scientific |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H319: Causes serious eye irritation; H302: Harmful if swallowed; H312: Harmful in contact with skin; H332: Harmful if inhaled; H335: May cause respiratory irritation | Acros Organics |
| Warnings | IRRITANT, KEEP COLD, LIGHT SENSITIVE | Matrix Scientific |
| Warnings | Irritant/Light Sensitive/Store in Freezer | Matrix Scientific |
| P phrase | P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing | Acros Organics |
| P phrase | P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P260: Do not breathe dust/fume/gas/mist/vapor | Acros Organics |
| R phrase | R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. | Acros Organics |
| R phrase | R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.