| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2005 | 12 | Yes |
Popular Name: 3-Amino-5-phenylpyrazole 3-Amino-5-phenylpyrazole
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1572-10-7 , 20737-62-6 , 827-41-8 , 827-91-8 , N/A , [1572-10-7] , [827-41-8]
| 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) | 1.28 | 3.9 | -34.03 | 3 | 3 | 1 | 52 | 160.2 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.60 | 3.36 | -7.38 | 3 | 3 | 0 | 55 | 159.192 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.60 | 3.48 | -27.92 | 4 | 3 | 1 | 56 | 160.2 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 118 - 121 | Acros Organics |
| melting_point | 120 - 123 | KeyOrganics |
| MP | 120-123° | Matrix Scientific |
| MP | 124 - 127 | Enamine Building Blocks |
| Melting_Point | 124-128? | Alfa-Aesar |
| Melting_Point | 124-128° | Alfa-Aesar |
| MP | 124...127 | Enamine Building Blocks |
| MP | 126 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | >95% | Matrix Scientific |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H319: Causes serious eye 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; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water | Acros Organics |
| R phrase | 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 |
| Hazard | XI: Irritant | Acros Organics |
