| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2005 | 6 | Yes |
Popular Name: 4-Iodoimidazole 4-Iodoimidazole
Find On: PubMed — Wikipedia — Google
CAS Numbers: 3469-69-0 , 71759-89-2 , [71759-89-2]
| 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) | 1.13 | 3.06 | -4.9 | 1 | 2 | 0 | 29 | 193.975 | 0 | ↓ |
| Ref Reference (pH 7) | 1.13 | 3.05 | -6.81 | 1 | 2 | 0 | 29 | 193.975 | 0 | ↓ |
| Mid Mid (pH 6-8) | 1.13 | 3.55 | -34.23 | 2 | 2 | 1 | 30 | 194.983 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 135-138? | Alfa-Aesar |
| Melting_Point | 135-138° | Alfa-Aesar |
| MP | 137 | TCI |
| Purity | 94% | Fluorochem |
| Purity | 95% | Matrix Scientific |
| H phrase | H302: Harmful if swallowed; H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| Warnings | Irritant/Light Sensitive | Matrix Scientific |
| 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 to fresh air and keep at rest in a position comfortable for breathing; P305 + P35 | Acros Organics |
| R phrase | R22: Harmful 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.