| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 15th, 2007 | 13 | Yes |
Popular Name: 3-(4-methoxyphenyl)-1H-pyrazole 3-(4-methoxyphenyl)-1H-pyrazole
Find On: PubMed — Wikipedia — Google
CAS Number: 27069-17-6
3-(4-Methoxyphenyl)-1H-pyrazole, 98%
3-(4-Methoxyphenyl)pyrazole, 98%
| 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) | 2.05 | 3.77 | -6.31 | 1 | 3 | 0 | 38 | 174.203 | 2 | ↓ |
| Ref Reference (pH 7) | 2.05 | 3.82 | -7.93 | 1 | 3 | 0 | 38 | 174.203 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 126-129? | Alfa-Aesar |
| Melting_Point | 126-129° | Alfa-Aesar |
| Mp [°C] | 127 - 130 | Acros Organics |
| MP | 128 - 130 | Enamine Building Blocks |
| MP | 128...130 | Enamine Building Blocks |
| MP | 130-131° | Fluorochem |
| BP | 158/0.6mm | Fluorochem |
| BP | 158°/0.6mm | Oakwood Chemical |
| BP [°C] | 185 (p=0.6 torr) | Acros Organics |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | Fluorochem |
| H phrase | H319: Causes serious eye irritation | Acros Organics |
| H phrase | H319: Causes serious eye irritation; H335: May cause respiratory irritation; H315: Causes skin irritation; H302: Harmful if swallowed | Acros Organics |
| 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 |
| Hazard | XN: Harmful | Acros Organics |
