| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 21st, 2013 | 20 | Yes |
Popular Name: 3-iodo-1H-pyrazole 3-iodo-1H-pyrazole
Find On: PubMed — Wikipedia — Google
CAS Numbers: 4522-35-4 , [4522-35-4]
| 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) | 1.53 | 1.87 | -5.44 | 1 | 2 | 0 | 29 | 193.975 | 0 | ↓ |
| Hi High (pH 8-9.5) | 2.05 | 2.41 | -5.99 | 2 | 4 | 0 | 59 | 298.766 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.53 | 1.88 | -3.09 | 1 | 2 | 0 | 29 | 193.975 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 68 - 70 | Acros Organics |
| Melting_Point | 69-72? | Alfa-Aesar |
| melting_point | 74 - 75 | KeyOrganics |
| Purity | 95% | Fluorochem |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| H phrase | H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection; P312: Call a POISON CENTER or doctor/physician if you feel unwell; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P304 + P340: IF INHALED: Remove to fresh air a | Acros Organics |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.