| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 30th, 2005 | 6 | Yes |
Popular Name: 3-Methylpyrazole 3-Methylpyrazole
Find On: PubMed — Wikipedia — Google
CAS Numbers: 119760-62-2 , 1453-58-3 , 88054-14-2 , [1453-58-3] , [88054-14-2] , [896161-34-5]
3-(Trifluoromethyl)Pyrazole [20154-03-4]
5-Fluoropyridin-3-amine hydrochloride
| 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) | 0.54 | 1.53 | -4.92 | 1 | 2 | 0 | 29 | 82.106 | 0 | ↓ |
| Ref Reference (pH 7) | 0.54 | 1.56 | -5.65 | 1 | 2 | 0 | 29 | 82.106 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Boiling_Point | 203-205? | Alfa-Aesar |
| Boiling_Point | 203-205° | Alfa-Aesar |
| BP [°C] | 204 | Acros Organics |
| Purity | 95+% | Matrix Scientific |
| Purity | 98% | Fluorochem |
| Purity | 99% | Fluorochem |
| PUBCHEM_PATENT_ID | EP0006541A2; EP0125756A2; EP0173331A2; EP0173331B1; EP0196005A1; EP0240015A2; EP0240015B1; EP0318758A2; EP0318759A1; EP0318759B1; EP0364890A2; EP0373531A1; EP0470514A1; EP0470514B1; EP0476659A1; EP0490224A2; EP0490224B1; EP0514667A1; EP0514667B1; EP052737 | IBM Patent Data |
| PUBCHEM_PATENT_ID | EP0081141A1; EP0326330A2; EP0457803A1; EP0470514A1; EP0470514B1; EP0562833A1; EP0562833B1; EP0835252A1; EP0874825A1; EP0925282A1; US4500340; US5124342; US5145843; US5240940; US5300513; US5569640; US5616579; US5777118; US5977146; US6015825; US6117884; WO19 | IBM Patent Data |
| PUBCHEM_PATENT_ID | EP0240015A2; EP0240015B1; EP0269859A2; EP0269859B2; EP0755384A1; EP0896533A2; EP0939627A1; EP1044002A1; EP1058151A1; US4824834; US5008274; US5434164; US5569640; US5777118; US5798374; US5859007; US5880151; US5883110; US5922529; US6080772; US6121304; US6143 | IBM Patent Data |
| PUBCHEM_PATENT_ID | EP0634992A1; EP0634992B1; US5637131; WO1993021134A1 | IBM Patent Data |
| H phrase | H319: Causes serious eye irritation | Acros Organics |
| H phrase | H319: Causes serious eye irritation; H302: Harmful if swallowed; H315: Causes skin irritation; H335: May cause respiratory 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 | S24/25: Avoid contact with skin and eyes. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.