| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 11th, 2004 | 6 | Yes |
Popular Name: 4-Iodopyrazole 4-Iodopyrazole
Find On: PubMed — Wikipedia — Google
CAS Numbers: 3469-69-0 , [3469-69-0]
| 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) | 1.33 | 2.05 | -4.24 | 1 | 2 | 0 | 29 | 193.975 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 108 - 110 | Enamine Building Blocks |
| Melting_Point | 108-110? | Alfa-Aesar |
| Melting_Point | 108-110° | Alfa-Aesar |
| MP | 108...110 | Enamine Building Blocks |
| MP | 108° | Matrix Scientific |
| MP | 109 | TCI |
| MP | 109 - 110 | Enamine Building Blocks |
| MP | 110 - 110 | Enamine Building Blocks |
| MP | 110 - 112 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 98% | Fluorochem |
| Purity | 99% | Matrix Scientific |
| PUBCHEM_PATENT_ID | EP0490224A2; EP0490224B1; US5246914; US5290755; US5308828; US5362876 | IBM Patent Data |
| H phrase | H319: Causes serious eye irritation | Acros Organics |
| H phrase | H319: Causes serious eye irritation; H335: May cause respiratory irritation; H302: Harmful if swallowed; H315: Causes skin irritation | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye | Acros Organics |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| R phrase | R22: Harmful if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. | Acros Organics |
| Patent Database Links | US2008234293 | ChEBI |
| Hazard | XN: Harmful | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.